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

Systemtic Name: cyclohexyl 2-[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C27H25ClN2O2S MolecularWeight: 477.0176

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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)OC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)OC4CCCCC4

InChI

InChI=1S/C27H25ClN2O2S/c1-18-7-9-20(10-8-18)25-15-23(19-11-13-21(28)14-12-19)24(16-29)27(30-25)33-17-26(31)32-22-5-3-2-4-6-22/h7-15,22H,2-6,17H2,1H3