(2-methyl-5-methylsulfanyl-1,3-oxazol-4-yl)-triphenyl-phosphanium iodide

Systemtic Name: (2-methyl-5-methylsulfanyl-1,3-oxazol-4-yl)-triphenyl-phosphanium iodide Openeye Name: (2-methyl-5-methylsulfanyl-oxazol-4-yl)-triphenyl-phosphonium iodide CAS Name: [2-methyl-5-(methylthio)-4-oxazolyl]-triphenylphosphonium iodide IUPAC Name: (2-methyl-5-methylsulfanyl-1,3-oxazol-4-yl)-triphenylphosphanium iodide Traditional Name: [2-methyl-5-(methylthio)oxazol-4-yl]-triphenyl-phosphonium iodide Formula: C23H21INOPS MolecularWeight: 517.362171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)SC)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC1=NC(=C(O1)SC)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C23H21NOPS.HI/c1-18-24-22(23(25-18)27-2)26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,1-2H3;1H/q+1;/p-1