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

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

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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=NC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=NC=CC(=C3)C

InChI

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