2-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-ethylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetate Formula: C15H12F3N2O2S- MolecularWeight: 341.32819

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H13F3N2O2S/c1-2-9-3-5-10(6-4-9)11-7-12(15(16,17)18)20-14(19-11)23-8-13(21)22/h3-7H,2,8H2,1H3,(H,21,22)/p-1