(2-tert-butyl-4-methylsulfanyl-1H-imidazol-5-yl)-triphenyl-phosphanium iodide

Systemtic Name: (2-tert-butyl-4-methylsulfanyl-1H-imidazol-5-yl)-triphenyl-phosphanium iodide Openeye Name: (2-tert-butyl-4-methylsulfanyl-1H-imidazol-5-yl)-triphenyl-phosphonium iodide CAS Name: [2-tert-butyl-4-(methylthio)-1H-imidazol-5-yl]-triphenylphosphonium iodide IUPAC Name: (2-tert-butyl-4-methylsulfanyl-1H-imidazol-5-yl)-triphenylphosphanium iodide Traditional Name: [2-tert-butyl-4-(methylthio)-1H-imidazol-5-yl]-triphenyl-phosphonium iodide Formula: C26H28IN2PS MolecularWeight: 558.457151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC.[I-]

Isomeric SMILES

CC(C)(C)C1=NC(=C(N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC.[I-]

InChI

InChI=1S/C26H28N2PS.HI/c1-26(2,3)25-27-23(24(28-25)30-4)29(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22;/h5-19H,1-4H3,(H,27,28);1H/q+1;/p-1