1-(4-hydroxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone bromide

Systemtic Name: 1-(4-hydroxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone bromide Openeye Name: 1-(4-hydroxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone bromide CAS Name: 1-(4-hydroxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]ethanone bromide IUPAC Name: 1-(4-hydroxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanone bromide Traditional Name: 1-(4-hydroxyphenyl)-2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]ethanone bromide Formula: C12H13BrN2O2S MolecularWeight: 329.21282

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)SCC(=O)C2=CC=C(C=C2)O.[Br-]

Isomeric SMILES

C[N+]1=C(NC=C1)SCC(=O)C2=CC=C(C=C2)O.[Br-]

InChI

InChI=1S/C12H12N2O2S.BrH/c1-14-7-6-13-12(14)17-8-11(16)9-2-4-10(15)5-3-9;/h2-7H,8H2,1H3,(H,15,16);1H