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

Systemtic Name: 3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C19H13F3N2O2S MolecularWeight: 390.37893

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H13F3N2O2S/c20-19(21,22)16-10-15(13-6-2-1-3-7-13)23-18(24-16)27-11-12-5-4-8-14(9-12)17(25)26/h1-10H,11H2,(H,25,26)