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

Systemtic Name: N-(4-acetamidophenyl)-3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-acetamidophenyl)-3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(4-acetamidophenyl)-3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]propionamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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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=C(C=C3)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O2S/c1-16-3-5-18(6-4-16)22-12-7-19(15-25)24(28-22)31-14-13-23(30)27-21-10-8-20(9-11-21)26-17(2)29/h3-12H,13-14H2,1-2H3,(H,26,29)(H,27,30)