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

Systemtic Name: 5-azanyl-1-(4-methylphenyl)-N-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(3-methylsulfanylphenyl)-1-(p-tolyl)triazole-4-carboxamide CAS Name: 5-amino-1-(4-methylphenyl)-N-[3-(methylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-(4-methylphenyl)-N-(3-methylsulfanylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-N-[3-(methylthio)phenyl]-1-(p-tolyl)triazole-4-carboxamide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC(=CC=C3)SC)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC(=CC=C3)SC)N

InChI

InChI=1S/C17H17N5OS/c1-11-6-8-13(9-7-11)22-16(18)15(20-21-22)17(23)19-12-4-3-5-14(10-12)24-2/h3-10H,18H2,1-2H3,(H,19,23)