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

Systemtic Name: 3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)propanamide Openeye Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(2-methyl-4-quinolyl)propanamide CAS Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(2-methyl-4-quinolinyl)propanamide IUPAC Name: 3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)propanamide Traditional Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(2-methyl-4-quinolyl)propionamide Formula: C25H19ClN4OS MolecularWeight: 458.96256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C25H19ClN4OS/c1-16-14-23(20-4-2-3-5-22(20)28-16)29-24(31)12-13-32-25-18(15-27)8-11-21(30-25)17-6-9-19(26)10-7-17/h2-11,14H,12-13H2,1H3,(H,28,29,31)