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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H14N6OS2 MolecularWeight: 382.46266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6OS2/c18-7-10-25-14-4-2-1-3-13(14)20-15(24)11-26-17-21-16(22-23-17)12-5-8-19-9-6-12/h1-6,8-9H,10-11H2,(H,20,24)(H,21,22,23)