2-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(5-methyl-2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(5-methyl-2-thiophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(5-methyl-2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetate Formula: C12H8F3N2O2S2- MolecularWeight: 333.32933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(S1)C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H9F3N2O2S2/c1-6-2-3-8(21-6)7-4-9(12(13,14)15)17-11(16-7)20-5-10(18)19/h2-4H,5H2,1H3,(H,18,19)/p-1