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

Systemtic Name: methyl 2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]thio]acetic acid methyl ester Formula: C21H14Cl2N2O2S MolecularWeight: 429.31906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14Cl2N2O2S/c1-27-20(26)12-28-21-18(11-24)17(13-2-6-15(22)7-3-13)10-19(25-21)14-4-8-16(23)9-5-14/h2-10H,12H2,1H3