[(E)-1-cyano-2-methylsulfanyl-ethenyl]-triphenyl-phosphanium iodide

Systemtic Name: [(E)-1-cyano-2-methylsulfanyl-ethenyl]-triphenyl-phosphanium iodide Openeye Name: [(E)-1-cyano-2-methylsulfanyl-vinyl]-triphenyl-phosphonium iodide CAS Name: [(E)-1-cyano-2-(methylthio)ethenyl]-triphenylphosphonium iodide IUPAC Name: [(E)-1-cyano-2-methylsulfanylethenyl]-triphenylphosphanium iodide Traditional Name: [(E)-1-cyano-2-(methylthio)vinyl]-triphenyl-phosphonium iodide Formula: C22H19INPS MolecularWeight: 487.336191

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Descriptors Computed from Structure

Canonical SMILES:

CSC=C(C#N)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

Isomeric SMILES

CS/C=C(\C#N)/[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C22H19NPS.HI/c1-25-18-22(17-23)24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16,18H,1H3;1H/q+1;/p-1/b22-18+;