5-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]methyl]-2-thenoic acid Formula: C11H7F3N2O3S2 MolecularWeight: 336.31009

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)O)CSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

C1=C(SC(=C1)C(=O)O)CSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C11H7F3N2O3S2/c12-11(13,14)7-3-8(17)16-10(15-7)20-4-5-1-2-6(21-5)9(18)19/h1-3H,4H2,(H,18,19)(H,15,16,17)