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

Systemtic Name: 2-[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: 2-[[3-cyano-6-(p-tolyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetate IUPAC Name: 2-[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(p-tolyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetate Formula: C16H10F3N2O2S- MolecularWeight: 351.32301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N2O2S/c1-9-2-4-10(5-3-9)13-6-12(16(17,18)19)11(7-20)15(21-13)24-8-14(22)23/h2-6H,8H2,1H3,(H,22,23)/p-1