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

Systemtic Name: 2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]-1-phenyl-ethanone bromide Openeye Name: 2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]-1-phenyl-ethanone bromide CAS Name: 2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]-1-phenylethanone bromide IUPAC Name: 2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]-1-phenylethanone bromide Traditional Name: 2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]-1-phenyl-ethanone bromide Formula: C12H13BrN2OS MolecularWeight: 313.21342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2OS.BrH/c1-14-8-7-13-12(14)16-9-11(15)10-5-3-2-4-6-10;/h2-8H,9H2,1H3;1H