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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]propionamide Formula: C23H20ClN3OS MolecularWeight: 421.9424

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3OS/c1-15-3-6-17(7-4-15)21-10-8-18(14-25)23(27-21)29-12-11-22(28)26-19-9-5-16(2)20(24)13-19/h3-10,13H,11-12H2,1-2H3,(H,26,28)