2-[4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-5-yl]acetic acid Formula: C13H9F3N2O3S MolecularWeight: 330.28237

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=CNC2=S)CC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C(=CNC2=S)CC(=O)O)C(F)(F)F

InChI

InChI=1S/C13H9F3N2O3S/c14-13(15,16)8-2-1-3-9(5-8)18-11(21)7(4-10(19)20)6-17-12(18)22/h1-3,5-6H,4H2,(H,17,22)(H,19,20)