3-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 3-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 3-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 3-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 3-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 3-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]-2-furoic acid Formula: C12H8F3NO3S MolecularWeight: 303.25703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(F)(F)F)SCC2=C(OC=C2)C(=O)O

Isomeric SMILES

C1=CC(=NC=C1C(F)(F)F)SCC2=C(OC=C2)C(=O)O

InChI

InChI=1S/C12H8F3NO3S/c13-12(14,15)8-1-2-9(16-5-8)20-6-7-3-4-19-10(7)11(17)18/h1-5H,6H2,(H,17,18)