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

Systemtic Name: 2-[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]acetate IUPAC Name: 2-[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]acetate Formula: C21H14ClN2O3S- MolecularWeight: 409.86546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)[O-]

InChI

InChI=1S/C21H15ClN2O3S/c1-27-16-8-4-14(5-9-16)19-10-17(13-2-6-15(22)7-3-13)18(11-23)21(24-19)28-12-20(25)26/h2-10H,12H2,1H3,(H,25,26)/p-1