2-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetate Formula: C13H6Cl2F3N2O2S- MolecularWeight: 382.16515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=NC(=N2)SCC(=O)[O-])C(F)(F)F)Cl)Cl

InChI

InChI=1S/C13H7Cl2F3N2O2S/c14-7-2-1-6(3-8(7)15)9-4-10(13(16,17)18)20-12(19-9)23-5-11(21)22/h1-4H,5H2,(H,21,22)/p-1