3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(6-methylpyridin-2-yl)propanamide

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(6-methylpyridin-2-yl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(6-methyl-2-pyridyl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(6-methyl-2-pyridinyl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(6-methylpyridin-2-yl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(6-methyl-2-pyridyl)propionamide Formula: C19H22N4OS MolecularWeight: 354.46918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=CC(=N2)C

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=CC(=N2)C

InChI

InChI=1S/C19H22N4OS/c1-3-4-7-16-10-9-15(13-20)19(22-16)25-12-11-18(24)23-17-8-5-6-14(2)21-17/h5-6,8-10H,3-4,7,11-12H2,1-2H3,(H,21,23,24)