3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate

Systemtic Name: 3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Openeye Name: 3-[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate CAS Name: 3-[[4-(4-methylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoate IUPAC Name: 3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionate Formula: C15H12F3N2O2S- MolecularWeight: 341.32819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H13F3N2O2S/c1-9-2-4-10(5-3-9)11-8-12(15(16,17)18)20-14(19-11)23-7-6-13(21)22/h2-5,8H,6-7H2,1H3,(H,21,22)/p-1