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

Systemtic Name: 2-[3-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-keto-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C13H8ClF3N2O3S MolecularWeight: 364.72743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClF3N2O3S/c14-9-2-1-7(4-8(9)13(15,16)17)19-11(22)6(3-10(20)21)5-18-12(19)23/h1-2,4-5H,3H2,(H,18,23)(H,20,21)