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

Systemtic Name: 2-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N)OC

InChI

InChI=1S/C22H18ClN3O3S/c1-28-19-10-8-17(11-20(19)29-2)25-21(27)13-30-22-15(12-24)5-9-18(26-22)14-3-6-16(23)7-4-14/h3-11H,13H2,1-2H3,(H,25,27)