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

Systemtic Name: 2-methyl-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-methyl-5-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-methyl-5-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-methyl-5-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]-3-furoic acid Formula: C13H10F3NO3S MolecularWeight: 317.28361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H10F3NO3S/c1-7-10(12(18)19)4-9(20-7)6-21-11-3-2-8(5-17-11)13(14,15)16/h2-5H,6H2,1H3,(H,18,19)