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

Systemtic Name: N-(3-methylphenyl)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(m-tolyl)acetamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-13-6-5-9-15(10-13)19-16(23)12-25-18-21-20-17(24)22(18)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,23)(H,20,24)