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

Systemtic Name: 2-[3-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(4-fluorophenyl)-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(4-fluorophenyl)-4-keto-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C12H9FN2O3S MolecularWeight: 280.274863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CNC2=S)CC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=CNC2=S)CC(=O)O)F

InChI

InChI=1S/C12H9FN2O3S/c13-8-1-3-9(4-2-8)15-11(18)7(5-10(16)17)6-14-12(15)19/h1-4,6H,5H2,(H,14,19)(H,16,17)