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

Systemtic Name: 2-[3-cyano-6-(furan-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylethanoate Openeye Name: 2-[[3-cyano-6-(2-furyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(2-furanyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thio]acetate IUPAC Name: 2-[3-cyano-6-(furan-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(2-furyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridyl]thio]acetate Formula: C19H10F3N2O3S- MolecularWeight: 403.35451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H11F3N2O3S/c20-19(21,22)12-5-3-11(4-6-12)13-8-15(16-2-1-7-27-16)24-18(14(13)9-23)28-10-17(25)26/h1-8H,10H2,(H,25,26)/p-1