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

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-phenylacetamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-phenyl-acetamide Formula: C18H19N3OS MolecularWeight: 325.42796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H19N3OS/c1-2-3-7-16-11-10-14(12-19)18(21-16)23-13-17(22)20-15-8-5-4-6-9-15/h4-6,8-11H,2-3,7,13H2,1H3,(H,20,22)