(5-phenacylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-phosphanium bromide

Systemtic Name: (5-phenacylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenyl-phosphanium bromide Openeye Name: (5-phenacylsulfanyl-2-phenyl-oxazol-4-yl)-triphenyl-phosphonium bromide CAS Name: [5-(phenacylthio)-2-phenyl-4-oxazolyl]-triphenylphosphonium bromide IUPAC Name: (5-phenacylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium bromide Traditional Name: [5-(phenacylthio)-2-phenyl-oxazol-4-yl]-triphenyl-phosphonium bromide Formula: C35H27BrNO2PS MolecularWeight: 636.537141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(O2)SCC(=O)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(O2)SCC(=O)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C35H27NO2PS.BrH/c37-32(27-16-6-1-7-17-27)26-40-35-34(36-33(38-35)28-18-8-2-9-19-28)39(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31;/h1-25H,26H2;1H/q+1;/p-1