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

Systemtic Name: 2-[3-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C14H10ClF3N2O3S MolecularWeight: 378.75401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClF3N2O3S/c1-6-8(5-11(21)22)12(23)20(13(24)19-6)7-2-3-10(15)9(4-7)14(16,17)18/h2-4H,5H2,1H3,(H,19,24)(H,21,22)