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

Systemtic Name: 2-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(2-methoxyphenyl)acetamide CAS Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(2-methoxyphenyl)acetamide Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H16ClN3O2S/c1-27-19-5-3-2-4-18(19)24-20(26)13-28-21-15(12-23)8-11-17(25-21)14-6-9-16(22)10-7-14/h2-11H,13H2,1H3,(H,24,26)