2-[6-methyl-4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[6-methyl-4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-methyl-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-methyl-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-6-methyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-5-yl]acetic acid Formula: C14H11F3N2O3S MolecularWeight: 344.30895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=S)N1)C2=CC=CC(=C2)C(F)(F)F)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(C(=S)N1)C2=CC=CC(=C2)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C14H11F3N2O3S/c1-7-10(6-11(20)21)12(22)19(13(23)18-7)9-4-2-3-8(5-9)14(15,16)17/h2-5H,6H2,1H3,(H,18,23)(H,20,21)