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

Systemtic Name: 2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-[(3-methyl-1H-imidazol-3-ium-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-[(3-methyl-1H-imidazol-3-ium-2-yl)thio]-1-(4-phenylphenyl)ethanone bromide Formula: C18H17BrN2OS MolecularWeight: 389.30938

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1=C(NC=C1)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H16N2OS.BrH/c1-20-12-11-19-18(20)22-13-17(21)16-9-7-15(8-10-16)14-5-3-2-4-6-14;/h2-12H,13H2,1H3;1H