4-[3-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propoxy]benzoic acid

Systemtic Name: 4-[3-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]propoxy]benzoic acid IUPAC Name: 4-[3-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]propoxy]benzoic acid Formula: C15H13F3N2O4S MolecularWeight: 374.33493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCCSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCCSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C15H13F3N2O4S/c16-15(17,18)11-8-12(21)20-14(19-11)25-7-1-6-24-10-4-2-9(3-5-10)13(22)23/h2-5,8H,1,6-7H2,(H,22,23)(H,19,20,21)