3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Openeye Name: 3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 3-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid Formula: C14H10F4N2O2S MolecularWeight: 346.300013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10F4N2O2S/c15-9-3-1-8(2-4-9)10-7-11(14(16,17)18)20-13(19-10)23-6-5-12(21)22/h1-4,7H,5-6H2,(H,21,22)