[4-(1-ethoxy-1-oxidanylidene-butan-2-yl)sulfanyl-2-phenyl-1H-imidazol-5-yl]-triphenyl-phosphanium bromide

Systemtic Name: [4-(1-ethoxy-1-oxidanylidene-butan-2-yl)sulfanyl-2-phenyl-1H-imidazol-5-yl]-triphenyl-phosphanium bromide Openeye Name: [4-(1-ethoxycarbonylpropylsulfanyl)-2-phenyl-1H-imidazol-5-yl]-triphenyl-phosphonium bromide CAS Name: [4-[(1-ethoxy-1-oxobutan-2-yl)thio]-2-phenyl-1H-imidazol-5-yl]-triphenylphosphonium bromide IUPAC Name: [4-(1-ethoxy-1-oxobutan-2-yl)sulfanyl-2-phenyl-1H-imidazol-5-yl]-triphenylphosphanium bromide Traditional Name: [4-(1-carbethoxypropylthio)-2-phenyl-1H-imidazol-5-yl]-triphenyl-phosphonium bromide Formula: C33H32BrN2O2PS MolecularWeight: 631.562141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=C(NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCC(C(=O)OCC)SC1=C(NC(=N1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C33H32N2O2PS.BrH/c1-3-29(33(36)37-4-2)39-32-31(34-30(35-32)25-17-9-5-10-18-25)38(26-19-11-6-12-20-26,27-21-13-7-14-22-27)28-23-15-8-16-24-28;/h5-24,29H,3-4H2,1-2H3,(H,34,35);1H/q+1;/p-1