2-[[1-(2,5-diphenylpyrazol-3-yl)-1H-benzimidazol-1-ium-2-yl]sulfanyl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[[1-(2,5-diphenylpyrazol-3-yl)-1H-benzimidazol-1-ium-2-yl]sulfanyl]-1-phenyl-ethanone bromide Openeye Name: 2-[[1-(2,5-diphenylpyrazol-3-yl)-1H-benzimidazol-1-ium-2-yl]sulfanyl]-1-phenyl-ethanone bromide CAS Name: 2-[[1-(2,5-diphenyl-3-pyrazolyl)-1H-benzimidazol-1-ium-2-yl]thio]-1-phenylethanone bromide IUPAC Name: 2-[[1-(2,5-diphenylpyrazol-3-yl)-1H-benzimidazol-1-ium-2-yl]sulfanyl]-1-phenylethanone bromide Traditional Name: 2-[[1-(2,5-diphenylpyrazol-3-yl)-1H-benzimidazol-1-ium-2-yl]thio]-1-phenyl-ethanone bromide Formula: C30H23BrN4OS MolecularWeight: 567.49882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)[NH+]3C4=CC=CC=C4N=C3SCC(=O)C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)[NH+]3C4=CC=CC=C4N=C3SCC(=O)C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C30H22N4OS.BrH/c35-28(23-14-6-2-7-15-23)21-36-30-31-25-18-10-11-19-27(25)33(30)29-20-26(22-12-4-1-5-13-22)32-34(29)24-16-8-3-9-17-24;/h1-20H,21H2;1H