methyl 4-[[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 4-[[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]methyl]benzoic acid methyl ester Formula: C21H15ClN2O2S MolecularWeight: 394.874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

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