3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C14H11F3N2O2S MolecularWeight: 328.30955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O2S/c1-8-5-11(14(15,16)17)19-13(18-8)22-7-9-3-2-4-10(6-9)12(20)21/h2-6H,7H2,1H3,(H,20,21)