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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Pyrazoles (150)
Imidazoles (100)
Thiazoles (69)
Triazoles (61)
Thiadiazoles (19)
Isoxazoles (12)
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Oxadiazoles (8)
Dithiazoles (6)

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1 – 15 of 173 results
1

Clothianidin, TRC

CAS: 210880-92-5 Molecular Formula: C6 H8 Cl N5 O2 S Molecular Weight (g/mol): 249.68 Synonym: [C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N' '-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine,Apacz,Arena,Belay,Celero,Clothianidin,Clutch,Clutch (insecticide),Dantop,Dantotsu,Dantotsu 16WSG,Fullswing,NipsIt,NipsIt Inside,Nipsit Inside Insecticide,Poncho,Poncho 250,Poncho 600,TI 435,TM 44401,Takeloc CLMN 10,Takeloc MC 50 Super,Takeloc MC 50E,Takelock MC 50 super,Titan ST,V 10170 IUPAC Name: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine SMILES: CN\C(=N/[N+](=O)[O-])\NCc1cnc(Cl)s1

CAS 210880-92-5
Molecular Weight (g/mol) 249.68
SMILES CN\C(=N/[N+](=O)[O-])\NCc1cnc(Cl)s1
Synonym [C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N' '-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine,Apacz,Arena,Belay,Celero,Clothianidin,Clutch,Clutch (insecticide),Dantop,Dantotsu,Dantotsu 16WSG,Fullswing,NipsIt,NipsIt Inside,Nipsit Inside Insecticide,Poncho,Poncho 250,Poncho 600,TI 435,TM 44401,Takeloc CLMN 10,Takeloc MC 50 Super,Takeloc MC 50E,Takelock MC 50 super,Titan ST,V 10170
IUPAC Name 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
Molecular Formula C6 H8 Cl N5 O2 S
2

Fluazolate, TRC

CAS: 174514-07-9 Molecular Formula: C15 H12 Br Cl F4 N2 O2 Molecular Weight (g/mol): 443.62 Synonym: Benzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-, 1-methylethyl ester,Fluazolate,Isopropazol,Isopropyl 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoate,JV 485,MON 48500,Twin-Agro IUPAC Name: propan-2-yl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoate SMILES: CC(C)OC(=O)c1cc(c(F)cc1Cl)c2nn(C)c(c2Br)C(F)(F)F

CAS 174514-07-9
Molecular Weight (g/mol) 443.62
SMILES CC(C)OC(=O)c1cc(c(F)cc1Cl)c2nn(C)c(c2Br)C(F)(F)F
Synonym Benzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-, 1-methylethyl ester,Fluazolate,Isopropazol,Isopropyl 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoate,JV 485,MON 48500,Twin-Agro
IUPAC Name propan-2-yl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoate
Molecular Formula C15 H12 Br Cl F4 N2 O2
3

Fomepizole, TRC

CAS: 7554-65-6 Molecular Formula: C4 H6 N2 Molecular Weight (g/mol): 82.1 Synonym: 1H-Pyrazole, 4-methyl-,Pyrazole, 4-methyl- (6CI,7CI,8CI),4-Methyl-1H-pyrazole,4-MP,4-Methylpyrazole,Antizol,Fomepizole IUPAC Name: 4-methyl-1H-pyrazole SMILES: Cc1cn[nH]c1

CAS 7554-65-6
Molecular Weight (g/mol) 82.1
SMILES Cc1cn[nH]c1
Synonym 1H-Pyrazole, 4-methyl-,Pyrazole, 4-methyl- (6CI,7CI,8CI),4-Methyl-1H-pyrazole,4-MP,4-Methylpyrazole,Antizol,Fomepizole
IUPAC Name 4-methyl-1H-pyrazole
Molecular Formula C4 H6 N2
4

Ethiprole, TRC

CAS: 181587-01-9 Molecular Formula: C13 H9 Cl2 F3 N4 O S Molecular Weight (g/mol): 397.2 Synonym: 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1H-pyrazole-3-carbonitrile,5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)pyrazole-3-carbonitrile,Ethiprole,Kirappu,RPA 107382 IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile SMILES: CCS(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F

CAS 181587-01-9
Molecular Weight (g/mol) 397.2
SMILES CCS(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F
Synonym 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1H-pyrazole-3-carbonitrile,5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)pyrazole-3-carbonitrile,Ethiprole,Kirappu,RPA 107382
IUPAC Name 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile
Molecular Formula C13 H9 Cl2 F3 N4 O S
5

Methazolamide, TRC

CAS: 554-57-4 Molecular Formula: C5 H8 N4 O3 S2 Molecular Weight (g/mol): 236.27 Synonym: Acetamide, N-(4-methyl-2-sulfamoyl-δ2-1,3,4-thiadiazolin-5-ylidene)- (6CI,7CI,8CI),N-[5-(Aminosulfonyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]acetamide,5-Acetylimino-4-methyl-δ2-1,3,4-thiadiazoline-2-sulfonamide,L 584601,Methazolamide,Methenamide,N-(4-Methyl-2-sulfamoyl-δ2-1,3,4-thiadiazolin-5-ylidene)acetamide,Neptazane,Neptazaneat IUPAC Name: (NZ)-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide SMILES: CN1N=C(S/C/1=N\C(=O)C)S(=O)(=O)N

CAS 554-57-4
Molecular Weight (g/mol) 236.27
SMILES CN1N=C(S/C/1=N\C(=O)C)S(=O)(=O)N
Synonym Acetamide, N-(4-methyl-2-sulfamoyl-δ2-1,3,4-thiadiazolin-5-ylidene)- (6CI,7CI,8CI),N-[5-(Aminosulfonyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]acetamide,5-Acetylimino-4-methyl-δ2-1,3,4-thiadiazoline-2-sulfonamide,L 584601,Methazolamide,Methenamide,N-(4-Methyl-2-sulfamoyl-δ2-1,3,4-thiadiazolin-5-ylidene)acetamide,Neptazane,Neptazaneat
IUPAC Name (NZ)-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide
Molecular Formula C5 H8 N4 O3 S2
6

Deferasirox, TRC

CAS: 201530-41-8 Molecular Formula: C21 H15 N3 O4 Molecular Weight (g/mol): 373.36 Synonym: Benzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-,4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid,4-[3,5-Bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid,Asunra,Deferasirox,Exjade,ICL 670,ICL 670A,Jadenu IUPAC Name: 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid SMILES: OC(=O)c1ccc(cc1)n2nc(nc2c3ccccc3O)c4ccccc4O

CAS 201530-41-8
Molecular Weight (g/mol) 373.36
SMILES OC(=O)c1ccc(cc1)n2nc(nc2c3ccccc3O)c4ccccc4O
Synonym Benzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-,4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid,4-[3,5-Bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid,Asunra,Deferasirox,Exjade,ICL 670,ICL 670A,Jadenu
IUPAC Name 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
Molecular Formula C21 H15 N3 O4
7

Vegita, TRC

CAS: 33813-20-6 Molecular Formula: C4 H4 N2 S3 Molecular Weight (g/mol): 176.28 Synonym: 3H-Imidazo[2,1-c]-1,2,4-dithiazole-3-thione, 5,6-dihydro-,5,6-Dihydro-3H-imidazo[2,1-c]-1,2,4-dithiazole-3-thione,EBIS,ETM,ETM (heterocycle),Endodan,Etem,Ethylenebisdiisothiocyanato sulfide,Ethylenebisthiuram monosulfide,Ethylenethiocarbamyl sulfide,Ethylenethiuram monosulfide,Ethylenethiuram sulfide,Hortocritt,N,N'-Dimethylene-5-imino-1,2-dithio-4-azolidine-3-thione,Thiuram monosulfide, 1,2-ethanediyl-,Vegita IUPAC Name: 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione SMILES: S=C1SSC2=NCCN12

CAS 33813-20-6
Molecular Weight (g/mol) 176.28
SMILES S=C1SSC2=NCCN12
Synonym 3H-Imidazo[2,1-c]-1,2,4-dithiazole-3-thione, 5,6-dihydro-,5,6-Dihydro-3H-imidazo[2,1-c]-1,2,4-dithiazole-3-thione,EBIS,ETM,ETM (heterocycle),Endodan,Etem,Ethylenebisdiisothiocyanato sulfide,Ethylenebisthiuram monosulfide,Ethylenethiocarbamyl sulfide,Ethylenethiuram monosulfide,Ethylenethiuram sulfide,Hortocritt,N,N'-Dimethylene-5-imino-1,2-dithio-4-azolidine-3-thione,Thiuram monosulfide, 1,2-ethanediyl-,Vegita
IUPAC Name 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione
Molecular Formula C4 H4 N2 S3
8

Dipyrone, TRC

CAS: 68-89-3 Molecular Formula: C13 H16 N3 O4 S . Na Molecular Weight (g/mol): 333.34 Synonym: Methanesulfonic acid, 1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt (1:1),Dipyrone (6CI),Methanesulfonic acid, (antipyrinylmethylamino)-, sodium salt (8CI),Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt (9CI),ARPF,Algocalmin,Algopyrin,Anador,Analgin,Analgine,Andolor,Conmel,Diprofarn,Gifaril,Lisador,Metamizol,Metamizole,Metamizole sodium,Metamizole sodium salt,Metapyrin,Methamizole sodium,Methampyrone,Methylmelubrin,Metilon,Narone,Neo-melubrine,Noramidopyrine methanesulfonate sodium,Noramidopyrine methanesulfonate sodium salt,Noraminophenazone methanesulfonate sodium salt,Noraminophenazone sodium mesylate,Novalgetol,Novalgin,Novamidazophen,Novaminophenazone,Novaminsulfone,Novaminsulfone sodium,Novaminsulfonium,Novaminsulfonum,Noveltex,Optalgin,Pharmalgine,Pyralgine,Pyretin,Pyretin (pharmaceutical),Restriva,Sodium (antipyrinylmethylamino)methanesulfonate,Sodium 1-phenyl-2,3-dimethyl-5-pyrazolone-4-methylaminomethanesulfonate,Sodium metamizole,Sodium noramidopyrine methanesulfonate,Sodium novaminsulfonate,Sulpin,Sulpyrin,Sulpyrine IUPAC Name: sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate SMILES: [Na+].CN(CS(=O)(=O)[O-])C1=C(C)N(C)N(C1=O)c2ccccc2

CAS 68-89-3
Molecular Weight (g/mol) 333.34
SMILES [Na+].CN(CS(=O)(=O)[O-])C1=C(C)N(C)N(C1=O)c2ccccc2
Synonym Methanesulfonic acid, 1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt (1:1),Dipyrone (6CI),Methanesulfonic acid, (antipyrinylmethylamino)-, sodium salt (8CI),Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt (9CI),ARPF,Algocalmin,Algopyrin,Anador,Analgin,Analgine,Andolor,Conmel,Diprofarn,Gifaril,Lisador,Metamizol,Metamizole,Metamizole sodium,Metamizole sodium salt,Metapyrin,Methamizole sodium,Methampyrone,Methylmelubrin,Metilon,Narone,Neo-melubrine,Noramidopyrine methanesulfonate sodium,Noramidopyrine methanesulfonate sodium salt,Noraminophenazone methanesulfonate sodium salt,Noraminophenazone sodium mesylate,Novalgetol,Novalgin,Novamidazophen,Novaminophenazone,Novaminsulfone,Novaminsulfone sodium,Novaminsulfonium,Novaminsulfonum,Noveltex,Optalgin,Pharmalgine,Pyralgine,Pyretin,Pyretin (pharmaceutical),Restriva,Sodium (antipyrinylmethylamino)methanesulfonate,Sodium 1-phenyl-2,3-dimethyl-5-pyrazolone-4-methylaminomethanesulfonate,Sodium metamizole,Sodium noramidopyrine methanesulfonate,Sodium novaminsulfonate,Sulpin,Sulpyrin,Sulpyrine
IUPAC Name sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate
Molecular Formula C13 H16 N3 O4 S . Na
9

Carfentrazone, TRC

CAS: 128621-72-7 Molecular Formula: C13 H10 Cl2 F3 N3 O3 Molecular Weight (g/mol): 384.14 Synonym: α,2-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoic acid,2-Chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl]propionic acid,Aim EC,Carfentrazone,Oratio IUPAC Name: 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid SMILES: CC1=NN(C(=O)N1C(F)F)c2cc(CC(Cl)C(=O)O)c(Cl)cc2F

CAS 128621-72-7
Molecular Weight (g/mol) 384.14
SMILES CC1=NN(C(=O)N1C(F)F)c2cc(CC(Cl)C(=O)O)c(Cl)cc2F
Synonym α,2-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoic acid,2-Chloro-3-[2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorophenyl]propionic acid,Aim EC,Carfentrazone,Oratio
IUPAC Name 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid
Molecular Formula C13 H10 Cl2 F3 N3 O3
10

Famprofazone, TRC

CAS: 22881-35-2 Molecular Formula: C24 H31 N3 O Molecular Weight (g/mol): 377.52 Synonym: 3H-Pyrazol-3-one, 1,2-dihydro-1-methyl-4-(1-methylethyl)-5-[[methyl(1-methyl-2-phenylethyl)amino]methyl]-2-phenyl-,3-Pyrazolin-5-one, 4-isopropyl-2-methyl-3-[[methyl(α-methylphenethyl)amino]methyl]-1-phenyl- (8CI),Famprofazone IUPAC Name: 1-methyl-5-[[methyl(1-phenylpropan-2-yl)amino]methyl]-2-phenyl-4-propan-2-ylpyrazol-3-one SMILES: CC(C)C1=C(CN(C)C(C)Cc2ccccc2)N(C)N(C1=O)c3ccccc3

CAS 22881-35-2
Molecular Weight (g/mol) 377.52
SMILES CC(C)C1=C(CN(C)C(C)Cc2ccccc2)N(C)N(C1=O)c3ccccc3
Synonym 3H-Pyrazol-3-one, 1,2-dihydro-1-methyl-4-(1-methylethyl)-5-[[methyl(1-methyl-2-phenylethyl)amino]methyl]-2-phenyl-,3-Pyrazolin-5-one, 4-isopropyl-2-methyl-3-[[methyl(α-methylphenethyl)amino]methyl]-1-phenyl- (8CI),Famprofazone
IUPAC Name 1-methyl-5-[[methyl(1-phenylpropan-2-yl)amino]methyl]-2-phenyl-4-propan-2-ylpyrazol-3-one
Molecular Formula C24 H31 N3 O
11

Acetazolamide, TRC

CAS: 59-66-5 Molecular Formula: C4 H6 N4 O3 S2 Molecular Weight (g/mol): 222.25 Synonym: Acetazolamide,Acetamide, N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-,Acetamide, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)- (8CI),N-[5-(Aminosulfonyl)-1,3,4-thiadiazol-2-yl]acetamide,2-Acetamido-1,3,4-thiadiazole-5-sulfonamide,2-Acetamido-5-sulfonamido-1,3,4-thiadiazole,2-Acetylamino-1,3,4-thiadiazole-5-sulfonamide,5-Acetamide-1,3,4-thiadiazole-2-sulfonamide,5-Acetamido-1,3,4-thiadiazole-2-sulfonamide,5-Acetamido-1,3,4-thiodiazole-2-sulfonamide,5-Acetylamino-1,3,4-thiadiazol-2-ylsulfonamide,AZM,Acetamox,Acetazolamid,Atenezol,Carbonic anhydrase inhibitor 6063,Cidamex,Defiltran,Dehydratin,Diacarb,Diakarb,Diamox,Didoc,Diluran,Diuramid,Diuramide,Diureticum-Holzinger,Diuriwas,Diutazol,Donmox,Edemox,Eumicton,Fonurit,Glaupax,Glupax,L 579486,N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide,N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide,NSC 145177,Natrionex,Nephramid,Nephramide,Phonurit IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide SMILES: CC(=O)Nc1nnc(s1)S(=O)(=O)N

CAS 59-66-5
Molecular Weight (g/mol) 222.25
SMILES CC(=O)Nc1nnc(s1)S(=O)(=O)N
Synonym Acetazolamide,Acetamide, N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-,Acetamide, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)- (8CI),N-[5-(Aminosulfonyl)-1,3,4-thiadiazol-2-yl]acetamide,2-Acetamido-1,3,4-thiadiazole-5-sulfonamide,2-Acetamido-5-sulfonamido-1,3,4-thiadiazole,2-Acetylamino-1,3,4-thiadiazole-5-sulfonamide,5-Acetamide-1,3,4-thiadiazole-2-sulfonamide,5-Acetamido-1,3,4-thiadiazole-2-sulfonamide,5-Acetamido-1,3,4-thiodiazole-2-sulfonamide,5-Acetylamino-1,3,4-thiadiazol-2-ylsulfonamide,AZM,Acetamox,Acetazolamid,Atenezol,Carbonic anhydrase inhibitor 6063,Cidamex,Defiltran,Dehydratin,Diacarb,Diakarb,Diamox,Didoc,Diluran,Diuramid,Diuramide,Diureticum-Holzinger,Diuriwas,Diutazol,Donmox,Edemox,Eumicton,Fonurit,Glaupax,Glupax,L 579486,N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide,N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide,NSC 145177,Natrionex,Nephramid,Nephramide,Phonurit
IUPAC Name N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
Molecular Formula C4 H6 N4 O3 S2
12

Acalabrutinib, TRC

CAS: 1420477-60-6 Molecular Formula: C26H23N7O2 Molecular Weight (g/mol): 465.51 Synonym: 4-[8-amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinylbenzamide,ACP 196 IUPAC Name: 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide SMILES: CC#CC(=O)N1CCC[C@H]1c2nc(c3ccc(cc3)C(=O)Nc4ccccn4)c5c(N)nccn25

CAS 1420477-60-6
Molecular Weight (g/mol) 465.51
SMILES CC#CC(=O)N1CCC[C@H]1c2nc(c3ccc(cc3)C(=O)Nc4ccccn4)c5c(N)nccn25
Synonym 4-[8-amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinylbenzamide,ACP 196
IUPAC Name 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
Molecular Formula C26H23N7O2
13

Dapivirine, TRC

CAS: 244767-67-7 Molecular Formula: C20 H19 N5 Molecular Weight (g/mol): 329.4 Synonym: Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-,4-[[4-[(2,4,6-Trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile,AIDS 105293,Dapivirine,R 147681,TMC 120,TMC 120R147681 IUPAC Name: 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile SMILES: Cc1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1

CAS 244767-67-7
Molecular Weight (g/mol) 329.4
SMILES Cc1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1
Synonym Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-,4-[[4-[(2,4,6-Trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile,AIDS 105293,Dapivirine,R 147681,TMC 120,TMC 120R147681
IUPAC Name 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
Molecular Formula C20 H19 N5
14

Isometronidazole, TRC

CAS: 705-19-1 Molecular Formula: C6 H9 N3 O3 Molecular Weight (g/mol): 171.15 Synonym: 2-(2-Methyl-4-nitro-1H-imidazol-1-yl)ethanol,Metronidazole Imp. E (EP),2-Methyl-4-nitro-1H-imidazole-1-ethanol,2-Methyl-4-nitroimidazole-1-ethanol,1-(2-Hydroxyethyl)-2-methyl-4-nitroimidazole,Isometronidazole,Izoklion,Mizonidazole,RP 8979,SC-16427 IUPAC Name: 2-(2-methyl-4-nitroimidazol-1-yl)ethanol SMILES: Cc1nc(cn1CCO)[N+](=O)[O-]

CAS 705-19-1
Molecular Weight (g/mol) 171.15
SMILES Cc1nc(cn1CCO)[N+](=O)[O-]
Synonym 2-(2-Methyl-4-nitro-1H-imidazol-1-yl)ethanol,Metronidazole Imp. E (EP),2-Methyl-4-nitro-1H-imidazole-1-ethanol,2-Methyl-4-nitroimidazole-1-ethanol,1-(2-Hydroxyethyl)-2-methyl-4-nitroimidazole,Isometronidazole,Izoklion,Mizonidazole,RP 8979,SC-16427
IUPAC Name 2-(2-methyl-4-nitroimidazol-1-yl)ethanol
Molecular Formula C6 H9 N3 O3
15

Febuxostat, TRC

CAS: 144060-53-7 Molecular Formula: C16 H16 N2 O3 S Molecular Weight (g/mol): 316.37 Synonym: 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid,2-(3-Cyano-4-isobutyloxyphenyl)-4-methyl-5-thiazolecarboxylic acid,FBX,Febugood,Feburic,Febutaz,Febuxostat,TEI 6720,TMX 67,Uloric,Zurig IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid SMILES: CC(C)COc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O

CAS 144060-53-7
Molecular Weight (g/mol) 316.37
SMILES CC(C)COc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O
Synonym 2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid,2-(3-Cyano-4-isobutyloxyphenyl)-4-methyl-5-thiazolecarboxylic acid,FBX,Febugood,Feburic,Febutaz,Febuxostat,TEI 6720,TMX 67,Uloric,Zurig
IUPAC Name 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Molecular Formula C16 H16 N2 O3 S