N-(3-methylphenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(3-methylphenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(m-tolyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-methylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-methylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(m-tolyl)propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-14-7-6-10-17(13-14)21-18(25)15(2)27-20-23-22-19(26)24(20)12-11-16-8-4-3-5-9-16/h3-10,13,15H,11-12H2,1-2H3,(H,21,25)(H,22,26)