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

Systemtic Name: 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Openeye Name: 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid Formula: C14H11F3N2O2S MolecularWeight: 328.30955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O2S/c15-14(16,17)11-8-10(9-4-2-1-3-5-9)18-13(19-11)22-7-6-12(20)21/h1-5,8H,6-7H2,(H,20,21)