Triazoles
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
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
Sulfentrazone, TRC
CAS: 122836-35-5 Molecular Formula: C11 H10 Cl2 F2 N4 O3 S Molecular Weight (g/mol): 387.19 Synonym: Flucarbazone-N-desmethyl,N-[2,4-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]methanesulfonamide (ACI),2',4'-Dichloro-5'-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)methanesulfonanilide,Authority,Authority 75DF,Blanket,Boral,Capaz,Dismiss,F 6285,Spartan,Sulfentrazone,Methanesulfonamide, N-[2,4-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]- (9CI, ACI) IUPAC Name: N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide SMILES: CC1=NN(C(=O)N1C(F)F)c2cc(NS(=O)(=O)C)c(Cl)cc2Cl
Drometrizole, TRC
CAS: 2440-22-4 Molecular Formula: C13 H11 N3 O Molecular Weight (g/mol): 225.25 Synonym: p-Cresol, 2-(2H-benzotriazol-2-yl)- (7CI,8CI),2-(2H-Benzotriazol-2-yl)-4-methylphenol,2-(2-Hydroxy-5-methyl)benzotriazole,2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole,2-(2-Hydroxy-5-methylphenyl)benzotriazole,2-(2H-Benzotriazol-2-yl)-p-cresol,2-(2'-Hydroxy-5'-methylphenyl)benzotriazole,2-(5-Methyl-2-hydroxyphenyl)benzotriazole,2-(5'-Methyl-2'-hydroxyphenyl)benzotriazole,2-Benzotriazol-2-yl-4-methylphenol,4-Methyl-2-(2H-benzotriazol-2-yl)phenol,ADK Stab LA 32,ADK-ARKLS DN 13,BT 1,BT 1 (light stabilizer),Benazol II,Benazol P,Chisorb P,Dainsorb T 1,Drometrizole,Eversorb 71,JCK-W-UA,JF 77,JF 77P,JF 77T,Kemisorb 71,LA 32,Lowilite 55,Mark LA 32,NSC 91885,Seesorb 701,Seikalizer AZ,Solartex UVP,Sumisorb 200,Tinuvin P,Tinuvin PED,Tinuvin UV-P,UV Absorber 1,UV-P,UV-P (UV stabilizer),UVA-P,Uvasorb SV,Uvinul 3033P,Viosorb 520 IUPAC Name: 2-(benzotriazol-2-yl)-4-methylphenol SMILES: Cc1ccc(O)c(c1)n2nc3ccccc3n2
L-838417, TRC
CAS: 286456-42-6 Molecular Formula: C19 H19 F2 N7 O Molecular Weight (g/mol): 399.4 Synonym: L 838417 IUPAC Name: 7-tert-butyl-3-(2,5-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine SMILES: Cn1ncnc1COc2nn3c(nnc3cc2C(C)(C)C)c4cc(F)ccc4F
UV-320, TRC
CAS: 3846-71-7 Molecular Formula: C20 H25 N3 O Molecular Weight (g/mol): 323.43 Synonym: Phenol, 2-(2H-benzotriazol-2-yl)-4,6-di-tert-butyl- (7CI,8CI),2-(2H-Benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)phenol,2-(2-Benzotriazolyl)-4,6-di-tert-butylphenol,2-(2-Hydroxy-3,5-di-tert-butylphenyl)-2H-benzotriazole,2-(2-Hydroxy-3,5-di-tert-butylphenyl)benzotriazole,2-(2'-Hydroxy-3',5'-di-t-butylphenyl)benzotriazole,2-(2'-Hydroxy-3',5'-di-tert-butylphenyl)benzotriazole,2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole,2-(3,5-Di-tert-butyl-2-hydroxyphenyl)-2H-benzotriazole,2-(3,5-Di-tert-butyl-2-hydroxyphenyl)benzotriazole,2-(3',5'-Di-tert-butyl-2'-hydroxyphenyl)benzotriazole,Eversorb 77,Kemisorb 75,Seesorb 705,Sumisorb 320,Tinuvin 320,UV 320,Viosorb 582 IUPAC Name: 2-(benzotriazol-2-yl)-4,6-ditert-butylphenol SMILES: CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)n2nc3ccccc3n2
Triazophos 85%, TRC
CAS: 24017-47-8 Molecular Formula: C12 H16 N3 O3 P S Molecular Weight (g/mol): 313.31 Synonym: Phosphorothioic acid, O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) ester,1H-1,2,4-Triazol-3-ol, 1-phenyl-, O-ester with O,O-diethyl phosphorothioate (8CI),1-Phenyl-3-(O,O-diethylthionophosphoryl)-1,2,4-triazole,HOE 2960,Hostathion,Hostathion 40EC,Hostation,Triazofos,Triazophos IUPAC Name: diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidene-λ^{5}-phosphane SMILES: CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2
Deferasirox-d4, TRC
CAS: 1133425-75-8 Molecular Formula: C21 2H4 H11 N3 O4 Molecular Weight (g/mol): 377.39 Synonym: Benzoic-2,3,5,6-d4 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-2,3,5,6-d4 acid IUPAC Name: 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]-2,3,5,6-tetradeuteriobenzoic acid SMILES: [2H]c1c([2H])c(c([2H])c([2H])c1C(=O)O)n2nc(nc2c3ccccc3O)c4ccccc4O
Chlorpheniramine Nitrile, TRC
CAS: 65676-21-3 Molecular Formula: C17H18ClN3 Molecular Weight (g/mol): 299.8 Synonym: α-(4-Chlorophenyl)-α-[2-(dimethylamino)ethyl]-2-pyridineacetonitrile,α-(p-Chlorophenyl)-α-[2-(dimethylamino)ethyl]-2-pyridineacetonitrile,Chlorpeniramine EP Impurity D; IUPAC Name: 2-(4-chlorophenyl)-4-(dimethylamino)-2-pyridin-2-ylbutanenitrile SMILES: CN(C)CCC(C#N)(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
Amitrole-13C2,15N2, TRC
CAS: 1346603-92-6 Molecular Formula: 13C2H4N215N2 Molecular Weight (g/mol): 88.05 IUPAC Name: (3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine SMILES: N[13c]1n[13cH][15n][15nH]1
Drometrizole Trisiloxane, TRC
CAS: 155633-54-8 Molecular Formula: C24 H39 N3 O3 Si3 Molecular Weight (g/mol): 501.84 Synonym: Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propyl]- (9CI),2-(2H-Benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]-1-disiloxanyl]propyl]phenol,2-(2H-Benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propyl]phenol,Drometrizole trisiloxane,Mexoryl XL,OR 10154,Silatrizole IUPAC Name: 2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol SMILES: CC(Cc1cc(C)cc(c1O)n2nc3ccccc3n2)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
WP 155, TRC
CAS: 1031-47-6 Molecular Formula: C12 H19 N6 O P Molecular Weight (g/mol): 294.29 Synonym: P-(5-Amino-3-phenyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethylphosphonic diamide,5-Amino-1-[bis(dimethylamino)phosphinyl]-3-phenyl-1,2,4-triazole,5-Amino-1-bis(dimethylamido)phosphoryl-3-phenyl-1,2,4-triazole,5-Amino-3-phenyl-1,2,4-triazol-1-yl-N,N,N',N'-tetramethylphosphodiamide,NSC 232670,Triamiphos,WP 155,Wepsyn,Wepsyn 155 IUPAC Name: 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine SMILES: CN(C)P(=O)(N(C)C)n1nc(nc1N)c2ccccc2
3-Desmethyl Sulfentrazone, TRC
CAS: 134391-02-9 Molecular Formula: C10 H8 Cl2 F2 N4 O3 S Molecular Weight (g/mol): 373.16 Synonym: Methanesulfonamide, N-[2,4-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]-,N-[2,4-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]methanesulfonamide IUPAC Name: N-[2,4-dichloro-5-[4-(difluoromethyl)-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide SMILES: CS(=O)(=O)Nc1cc(N2N=CN(C(F)F)C2=O)c(Cl)cc1Cl
1,2,4-Triazol-4-amine, TRC
CAS: 584-13-4 Molecular Formula: C2 H4 N4 Molecular Weight (g/mol): 84.08 Synonym: 4-Amino-1,2,4-triazole,4H-1,2,4-Triazole, 4-amino- (8CI),1,2,4-Triazol-4-amine,1,2,4-Triazol-4-ylamine,1,2,4-Triazole-4-amine,1-Amino-1,3,4-triazole,1-Amino-1H-1,3,4-triazole,4-Amino-1,2,4(4H)-triazole,4-Amino-4H-1,2,4-triazole,A 1137,NSC 3263,NSC 7242,4H-1,2,4-Triazol-4-amine,ATC IUPAC Name: 1,2,4-triazol-4-amine SMILES: Nn1cnnc1
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