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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H14N6OS MolecularWeight: 350.39766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C17H14N6OS/c18-8-5-12-1-3-14(4-2-12)20-15(24)11-25-17-21-16(22-23-17)13-6-9-19-10-7-13/h1-4,6-7,9-10H,5,11H2,(H,20,24)(H,21,22,23)