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

Systemtic Name: 3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-pyridin-3-yl-propanamide Openeye Name: 3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]-N-(3-pyridyl)propanamide CAS Name: 3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-N-(3-pyridinyl)propanamide IUPAC Name: 3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-pyridin-3-ylpropanamide Traditional Name: 3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]-N-(3-pyridyl)propionamide Formula: C21H18N4OS MolecularWeight: 374.45882

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4OS/c1-15-4-6-16(7-5-15)19-9-8-17(13-22)21(25-19)27-12-10-20(26)24-18-3-2-11-23-14-18/h2-9,11,14H,10,12H2,1H3,(H,24,26)