2-chloranyl-5-[3-methyl-2-oxidanylidene-6-sulfanylidene-4-(trifluoromethyl)pyrimidin-1-yl]benzoate

Systemtic Name: 2-chloranyl-5-[3-methyl-2-oxidanylidene-6-sulfanylidene-4-(trifluoromethyl)pyrimidin-1-yl]benzoate Openeye Name: 2-chloro-5-[3-methyl-2-oxo-6-thioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate CAS Name: 2-chloro-5-[3-methyl-2-oxo-6-sulfanylidene-4-(trifluoromethyl)-1-pyrimidinyl]benzoate IUPAC Name: 2-chloro-5-[3-methyl-2-oxo-6-sulfanylidene-4-(trifluoromethyl)pyrimidin-1-yl]benzoate Traditional Name: 2-chloro-5-[2-keto-3-methyl-6-thioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate Formula: C13H7ClF3N2O3S- MolecularWeight: 363.71949

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=S)N(C1=O)C2=CC(=C(C=C2)Cl)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=CC(=S)N(C1=O)C2=CC(=C(C=C2)Cl)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H8ClF3N2O3S/c1-18-9(13(15,16)17)5-10(23)19(12(18)22)6-2-3-8(14)7(4-6)11(20)21/h2-5H,1H3,(H,20,21)/p-1