[4-methyl-2-(phenylmethylsulfanyl)imidazol-2-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-methyl-2-(phenylmethylsulfanyl)imidazol-2-yl]methyl-triphenyl-phosphanium bromide Openeye Name: (2-benzylsulfanyl-4-methyl-imidazol-2-yl)methyl-triphenyl-phosphonium bromide CAS Name: [4-methyl-2-(phenylmethylthio)-2-imidazolyl]methyl-triphenylphosphonium bromide IUPAC Name: (2-benzylsulfanyl-4-methylimidazol-2-yl)methyl-triphenylphosphanium bromide Traditional Name: [2-(benzylthio)-4-methyl-imidazol-2-yl]methyl-triphenyl-phosphonium bromide Formula: C30H28BrN2PS MolecularWeight: 559.499481

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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)SCC5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=NC(N=C1)(C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C30H28N2PS.BrH/c1-25-22-31-30(32-25,34-23-26-14-6-2-7-15-26)24-33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29;/h2-22H,23-24H2,1H3;1H/q+1;/p-1