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

Systemtic Name: N-(cyanomethyl)-N-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(cyanomethyl)-N-phenyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(cyanomethyl)-N-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(cyanomethyl)-N-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(cyanomethyl)-N-phenyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H13N5OS2 MolecularWeight: 355.43732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5OS2/c17-8-9-21(12-5-2-1-3-6-12)14(22)11-24-16-18-15(19-20-16)13-7-4-10-23-13/h1-7,10H,9,11H2,(H,18,19,20)