[(E)-2-butylsulfanyl-1-[(4-methylphenyl)carbonylamino]ethenyl]-triphenyl-phosphanium iodide

Systemtic Name: [(E)-2-butylsulfanyl-1-[(4-methylphenyl)carbonylamino]ethenyl]-triphenyl-phosphanium iodide Openeye Name: [(E)-2-butylsulfanyl-1-[(4-methylbenzoyl)amino]vinyl]-triphenyl-phosphonium iodide CAS Name: [(E)-2-(butylthio)-1-[[(4-methylphenyl)-oxomethyl]amino]ethenyl]-triphenylphosphonium iodide IUPAC Name: [(E)-2-butylsulfanyl-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium iodide Traditional Name: [(E)-2-(butylthio)-1-(p-toluoylamino)vinyl]-triphenyl-phosphonium iodide Formula: C32H33INOPS MolecularWeight: 637.553751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCS/C=C(\NC(=O)C1=CC=C(C=C1)C)/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C32H32NOPS.HI/c1-3-4-24-36-25-31(33-32(34)27-22-20-26(2)21-23-27)35(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30;/h5-23,25H,3-4,24H2,1-2H3;1H/b31-25+;