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

Systemtic Name: 3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)propanamide Openeye Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(4-methoxyphenyl)propanamide CAS Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(4-methoxyphenyl)propanamide IUPAC Name: 3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)propanamide Traditional Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(4-methoxyphenyl)propionamide Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O2S/c1-28-19-9-7-18(8-10-19)25-21(27)12-13-29-22-16(14-24)4-11-20(26-22)15-2-5-17(23)6-3-15/h2-11H,12-13H2,1H3,(H,25,27)