3-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]methyl]benzoate IUPAC Name: 3-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]methyl]benzoate Formula: C13H8F3N2O3S- MolecularWeight: 329.27443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC(=O)C=C(N2)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC(=O)C=C(N2)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C13H9F3N2O3S/c14-13(15,16)9-5-10(19)18-12(17-9)22-6-7-2-1-3-8(4-7)11(20)21/h1-5H,6H2,(H,20,21)(H,17,18,19)/p-1