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

Systemtic Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(p-tolyl)acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NNC(=O)N2C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C17H19N5O2S/c1-12-3-5-13(6-4-12)21(10-2-9-18)15(23)11-25-17-20-19-16(24)22(17)14-7-8-14/h3-6,14H,2,7-8,10-11H2,1H3,(H,19,24)