(4-methyl-2-phenylsulfanyl-imidazol-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-methyl-2-phenylsulfanyl-imidazol-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-methyl-2-phenylsulfanyl-imidazol-2-yl)methyl-triphenyl-phosphonium bromide CAS Name: [4-methyl-2-(phenylthio)-2-imidazolyl]methyl-triphenylphosphonium bromide IUPAC Name: (4-methyl-2-phenylsulfanylimidazol-2-yl)methyl-triphenylphosphanium bromide Traditional Name: [4-methyl-2-(phenylthio)imidazol-2-yl]methyl-triphenyl-phosphonium bromide Formula: C29H26BrN2PS MolecularWeight: 545.472901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(N=C1)(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=NC(N=C1)(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H26N2PS.BrH/c1-24-22-30-29(31-24,33-28-20-12-5-13-21-28)23-32(25-14-6-2-7-15-25,26-16-8-3-9-17-26)27-18-10-4-11-19-27;/h2-22H,23H2,1H3;1H/q+1;/p-1