5-azanyl-N-(3,4-dimethylphenyl)-1-[(4-methylsulfanylphenyl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-(3,4-dimethylphenyl)-1-[(4-methylsulfanylphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(3,4-dimethylphenyl)-1-[(4-methylsulfanylphenyl)methyl]triazole-4-carboxamide CAS Name: 5-amino-N-(3,4-dimethylphenyl)-1-[[4-(methylthio)phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-(3,4-dimethylphenyl)-1-[(4-methylsulfanylphenyl)methyl]triazole-4-carboxamide Traditional Name: 5-amino-N-(3,4-dimethylphenyl)-1-[4-(methylthio)benzyl]triazole-4-carboxamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)SC)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)SC)N)C

InChI

InChI=1S/C19H21N5OS/c1-12-4-7-15(10-13(12)2)21-19(25)17-18(20)24(23-22-17)11-14-5-8-16(26-3)9-6-14/h4-10H,11,20H2,1-3H3,(H,21,25)