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

Systemtic Name: (4-chlorophenyl) 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: (4-chlorophenyl) 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetic acid (4-chlorophenyl) ester Formula: C27H19ClN2O2S MolecularWeight: 470.96996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H19ClN2O2S/c1-18-7-9-20(10-8-18)25-15-23(19-5-3-2-4-6-19)24(16-29)27(30-25)33-17-26(31)32-22-13-11-21(28)12-14-22/h2-15H,17H2,1H3