3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)propanamide

Systemtic Name: 3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)propanamide Openeye Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide CAS Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(3,5-dimethoxyphenyl)propanamide IUPAC Name: 3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)propanamide Traditional Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(3,5-dimethoxyphenyl)propionamide Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N)OC

InChI

InChI=1S/C23H20ClN3O3S/c1-29-19-11-18(12-20(13-19)30-2)26-22(28)9-10-31-23-16(14-25)5-8-21(27-23)15-3-6-17(24)7-4-15/h3-8,11-13H,9-10H2,1-2H3,(H,26,28)