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

Systemtic Name: N-(3-chlorophenyl)-3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-chlorophenyl)-3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(3-chlorophenyl)-3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(3-chlorophenyl)-3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(3-chlorophenyl)-3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]propionamide Formula: C22H18ClN3OS MolecularWeight: 407.91582

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3OS/c1-15-5-7-16(8-6-15)20-10-9-17(14-24)22(26-20)28-12-11-21(27)25-19-4-2-3-18(23)13-19/h2-10,13H,11-12H2,1H3,(H,25,27)