5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C12H9F3N2O3S MolecularWeight: 318.27167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O3S/c1-6-4-9(12(13,14)15)17-11(16-6)21-5-7-2-3-8(20-7)10(18)19/h2-4H,5H2,1H3,(H,18,19)