1-(4-bromophenyl)-2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-ethanone bromide CAS Name: 1-(4-bromophenyl)-2-[(1,3-dimethyl-2-imidazol-1-iumyl)thio]ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylethanone bromide Traditional Name: 1-(4-bromophenyl)-2-[(1,3-dimethylimidazol-1-ium-2-yl)thio]ethanone bromide Formula: C13H14Br2N2OS MolecularWeight: 406.13606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1SCC(=O)C2=CC=C(C=C2)Br)C.[Br-]

Isomeric SMILES

CN1C=C[N+](=C1SCC(=O)C2=CC=C(C=C2)Br)C.[Br-]

InChI

InChI=1S/C13H14BrN2OS.BrH/c1-15-7-8-16(2)13(15)18-9-12(17)10-3-5-11(14)6-4-10;/h3-8H,9H2,1-2H3;1H/q+1;/p-1