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

Systemtic Name: methyl 2-[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)OC

InChI

InChI=1S/C22H17ClN2O2S/c1-14-3-5-16(6-4-14)20-11-18(15-7-9-17(23)10-8-15)19(12-24)22(25-20)28-13-21(26)27-2/h3-11H,13H2,1-2H3