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

Systemtic Name: 2-[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: 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]acetate IUPAC Name: 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]acetate Formula: C21H14ClN2O2S- MolecularWeight: 393.86606

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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)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)[O-]

InChI

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