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

Systemtic Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C20H15F3N2O3S MolecularWeight: 420.40491

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O3S/c1-28-15-7-5-13(6-8-15)16-10-17(20(21,22)23)25-19(24-16)29-11-12-3-2-4-14(9-12)18(26)27/h2-10H,11H2,1H3,(H,26,27)