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

Systemtic Name: 5-azanyl-N-(4-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(4-methylsulfanylphenyl)methyl]-N-(p-tolyl)triazole-4-carboxamide CAS Name: 5-amino-N-(4-methylphenyl)-1-[[4-(methylthio)phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-(4-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]triazole-4-carboxamide Traditional Name: 5-amino-1-[4-(methylthio)benzyl]-N-(p-tolyl)triazole-4-carboxamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS/c1-12-3-7-14(8-4-12)20-18(24)16-17(19)23(22-21-16)11-13-5-9-15(25-2)10-6-13/h3-10H,11,19H2,1-2H3,(H,20,24)