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

Systemtic Name: methyl 2-[4-(4-chlorophenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-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=C2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

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

InChI

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