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

Systemtic Name: 3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(4-methylpyridin-2-yl)propanamide Openeye Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(4-methyl-2-pyridyl)propanamide CAS Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(4-methyl-2-pyridinyl)propanamide IUPAC Name: 3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(4-methylpyridin-2-yl)propanamide Traditional Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(4-methyl-2-pyridyl)propionamide Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H17ClN4OS/c1-14-8-10-24-19(12-14)26-20(27)9-11-28-21-16(13-23)4-7-18(25-21)15-2-5-17(22)6-3-15/h2-8,10,12H,9,11H2,1H3,(H,24,26,27)