4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoic acid Openeye Name: 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoic acid CAS Name: 4-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanoic acid IUPAC Name: 4-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]butyric acid Formula: C15H12F4N2O2S MolecularWeight: 360.326593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC(=N2)SCCCC(=O)O)C(F)(F)F)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC(=N2)SCCCC(=O)O)C(F)(F)F)F

InChI

InChI=1S/C15H12F4N2O2S/c16-10-5-3-9(4-6-10)11-8-12(15(17,18)19)21-14(20-11)24-7-1-2-13(22)23/h3-6,8H,1-2,7H2,(H,22,23)