methyl 2-[6-(2-chlorophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-(2-chlorophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[6-(2-chlorophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(2-chlorophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-(2-chlorophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(2-chlorophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]acetic acid methyl ester Formula: C21H15ClN2O2S MolecularWeight: 394.874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2Cl)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2Cl)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H15ClN2O2S/c1-26-20(25)13-27-21-17(12-23)16(14-7-3-2-4-8-14)11-19(24-21)15-9-5-6-10-18(15)22/h2-11H,13H2,1H3