2-[4-[bis(fluoranyl)methyl]-6-(4-bromophenyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-[bis(fluoranyl)methyl]-6-(4-bromophenyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(4-bromophenyl)-6-(difluoromethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-bromophenyl)-6-(difluoromethyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(4-bromophenyl)-6-(difluoromethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-bromophenyl)-6-(difluoromethyl)pyrimidin-2-yl]thio]acetate Formula: C13H8BrF2N2O2S- MolecularWeight: 374.180626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrF2N2O2S/c14-8-3-1-7(2-4-8)9-5-10(12(15)16)18-13(17-9)21-6-11(19)20/h1-5,12H,6H2,(H,19,20)/p-1