2-(3-cyano-6-ethanoyl-pyridin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-(3-cyano-6-ethanoyl-pyridin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[(6-acetyl-3-cyano-2-pyridyl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(6-acetyl-3-cyano-2-pyridinyl)thio]-N-phenylacetamide IUPAC Name: 2-(6-acetyl-3-cyanopyridin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(6-acetyl-3-cyano-2-pyridyl)thio]-N-phenyl-acetamide Formula: C16H13N3O2S MolecularWeight: 311.35832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H13N3O2S/c1-11(20)14-8-7-12(9-17)16(19-14)22-10-15(21)18-13-5-3-2-4-6-13/h2-8H,10H2,1H3,(H,18,21)