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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5OS/c1-13-3-5-14(6-4-13)11-21-19(25)17-18(20)24(23-22-17)12-15-7-9-16(26-2)10-8-15/h3-10H,11-12,20H2,1-2H3,(H,21,25)