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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H13N5OS3 MolecularWeight: 387.50232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5OS3/c17-7-9-24-12-5-2-1-4-11(12)18-14(22)10-25-16-19-15(20-21-16)13-6-3-8-23-13/h1-6,8H,9-10H2,(H,18,22)(H,19,20,21)