(1-methyl-5-methylsulfanyl-2-phenyl-imidazol-4-yl)-triphenyl-phosphanium iodide

Systemtic Name: (1-methyl-5-methylsulfanyl-2-phenyl-imidazol-4-yl)-triphenyl-phosphanium iodide Openeye Name: (1-methyl-5-methylsulfanyl-2-phenyl-imidazol-4-yl)-triphenyl-phosphonium iodide CAS Name: [1-methyl-5-(methylthio)-2-phenyl-4-imidazolyl]-triphenylphosphonium iodide IUPAC Name: (1-methyl-5-methylsulfanyl-2-phenylimidazol-4-yl)-triphenylphosphanium iodide Traditional Name: [1-methyl-5-(methylthio)-2-phenyl-imidazol-4-yl]-triphenyl-phosphonium iodide Formula: C29H26IN2PS MolecularWeight: 592.473371

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=C1C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC.[I-]

Isomeric SMILES

CN1C(=C(N=C1C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC.[I-]

InChI

InChI=1S/C29H26N2PS.HI/c1-31-27(23-15-7-3-8-16-23)30-28(29(31)33-2)32(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26;/h3-22H,1-2H3;1H/q+1;/p-1