[2-(4-methylphenyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenyl-phosphanium iodide

Systemtic Name: [2-(4-methylphenyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenyl-phosphanium iodide Openeye Name: [5-methylsulfanyl-2-(p-tolyl)oxazol-4-yl]-triphenyl-phosphonium iodide CAS Name: [2-(4-methylphenyl)-5-(methylthio)-4-oxazolyl]-triphenylphosphonium iodide IUPAC Name: [2-(4-methylphenyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium iodide Traditional Name: [5-(methylthio)-2-(p-tolyl)oxazol-4-yl]-triphenyl-phosphonium iodide Formula: C29H25INOPS MolecularWeight: 593.458131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)SC)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)SC)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C29H25NOPS.HI/c1-22-18-20-23(21-19-22)27-30-28(29(31-27)33-2)32(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;/h3-21H,1-2H3;1H/q+1;/p-1