(4-methylsulfanyl-2-phenyl-1H-imidazol-5-yl)-triphenyl-phosphanium bromide

Systemtic Name: (4-methylsulfanyl-2-phenyl-1H-imidazol-5-yl)-triphenyl-phosphanium bromide Openeye Name: (4-methylsulfanyl-2-phenyl-1H-imidazol-5-yl)-triphenyl-phosphonium bromide CAS Name: [4-(methylthio)-2-phenyl-1H-imidazol-5-yl]-triphenylphosphonium bromide IUPAC Name: (4-methylsulfanyl-2-phenyl-1H-imidazol-5-yl)-triphenylphosphanium bromide Traditional Name: [4-(methylthio)-2-phenyl-1H-imidazol-5-yl]-triphenyl-phosphonium bromide Formula: C28H24BrN2PS MolecularWeight: 531.446321

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CSC1=C(NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H24N2PS.BrH/c1-32-28-27(29-26(30-28)22-14-6-2-7-15-22)31(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2-21H,1H3,(H,29,30);1H/q+1;/p-1