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

Systemtic Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(p-tolyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(p-tolyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H17N5OS2 MolecularWeight: 383.49048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H17N5OS2/c1-13-5-7-14(8-6-13)23(10-3-9-19)16(24)12-26-18-20-17(21-22-18)15-4-2-11-25-15/h2,4-8,11H,3,10,12H2,1H3,(H,20,21,22)