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

Systemtic Name: [2-(cyanomethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenyl-phosphanium iodide Openeye Name: [2-(cyanomethyl)-5-methylsulfanyl-oxazol-4-yl]-triphenyl-phosphonium iodide CAS Name: [2-(cyanomethyl)-5-(methylthio)-4-oxazolyl]-triphenylphosphonium iodide IUPAC Name: [2-(cyanomethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium iodide Traditional Name: [2-(cyanomethyl)-5-(methylthio)oxazol-4-yl]-triphenyl-phosphonium iodide Formula: C24H20IN2OPS MolecularWeight: 542.371631

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N=C(O1)CC#N)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CSC1=C(N=C(O1)CC#N)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C24H20N2OPS.HI/c1-29-24-23(26-22(27-24)17-18-25)28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16H,17H2,1H3;1H/q+1;/p-1