[(Z)-1-[(4-methylphenyl)carbonylamino]-2-phenacylsulfanyl-ethenyl]-triphenyl-phosphanium bromide

Systemtic Name: [(Z)-1-[(4-methylphenyl)carbonylamino]-2-phenacylsulfanyl-ethenyl]-triphenyl-phosphanium bromide Openeye Name: [(Z)-1-[(4-methylbenzoyl)amino]-2-phenacylsulfanyl-vinyl]-triphenyl-phosphonium bromide CAS Name: [(Z)-1-[[(4-methylphenyl)-oxomethyl]amino]-2-(phenacylthio)ethenyl]-triphenylphosphonium bromide IUPAC Name: [(Z)-1-[(4-methylbenzoyl)amino]-2-phenacylsulfanylethenyl]-triphenylphosphanium bromide Traditional Name: [(Z)-2-(phenacylthio)-1-(p-toluoylamino)vinyl]-triphenyl-phosphonium bromide Formula: C36H31BrNO2PS MolecularWeight: 652.579601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CSCC(=O)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C/SCC(=O)C2=CC=CC=C2)/[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C36H30NO2PS.BrH/c1-28-22-24-30(25-23-28)36(39)37-35(27-41-26-34(38)29-14-6-2-7-15-29)40(31-16-8-3-9-17-31,32-18-10-4-11-19-32)33-20-12-5-13-21-33;/h2-25,27H,26H2,1H3;1H/b35-27-;