3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(3-methylpyridin-2-yl)propanamide

Systemtic Name: 3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(3-methylpyridin-2-yl)propanamide Openeye Name: 3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]-N-(3-methyl-2-pyridyl)propanamide CAS Name: 3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-N-(3-methyl-2-pyridinyl)propanamide IUPAC Name: 3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(3-methylpyridin-2-yl)propanamide Traditional Name: 3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]-N-(3-methyl-2-pyridyl)propionamide Formula: C22H20N4OS MolecularWeight: 388.4854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=C(C=CC=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=C(C=CC=N3)C

InChI

InChI=1S/C22H20N4OS/c1-15-5-7-17(8-6-15)19-10-9-18(14-23)22(25-19)28-13-11-20(27)26-21-16(2)4-3-12-24-21/h3-10,12H,11,13H2,1-2H3,(H,24,26,27)