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

Systemtic Name: 3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)propanamide Openeye Name: 3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]-N-(2-methyl-4-quinolyl)propanamide CAS Name: 3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-N-(2-methyl-4-quinolinyl)propanamide IUPAC Name: 3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)propanamide Traditional Name: 3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]-N-(2-methyl-4-quinolyl)propionamide Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C26H22N4OS/c1-17-7-9-19(10-8-17)22-12-11-20(16-27)26(30-22)32-14-13-25(31)29-24-15-18(2)28-23-6-4-3-5-21(23)24/h3-12,15H,13-14H2,1-2H3,(H,28,29,31)