4-[[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-cyano-6-(2-furyl)-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[3-cyano-6-(2-furyl)-4-(trifluoromethyl)-2-pyridyl]thio]methyl]benzoic acid Formula: C19H11F3N2O3S MolecularWeight: 404.36245

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=COC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)C(=O)O

InChI

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