(2-ethylsulfanyl-4-methyl-imidazol-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-ethylsulfanyl-4-methyl-imidazol-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-ethylsulfanyl-4-methyl-imidazol-2-yl)methyl-triphenyl-phosphonium bromide CAS Name: [2-(ethylthio)-4-methyl-2-imidazolyl]methyl-triphenylphosphonium bromide IUPAC Name: (2-ethylsulfanyl-4-methylimidazol-2-yl)methyl-triphenylphosphanium bromide Traditional Name: [2-(ethylthio)-4-methyl-imidazol-2-yl]methyl-triphenyl-phosphonium bromide Formula: C25H26BrN2PS MolecularWeight: 497.430101

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(N=CC(=N1)C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCSC1(N=CC(=N1)C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H26N2PS.BrH/c1-3-29-25(26-19-21(2)27-25)20-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24;/h4-19H,3,20H2,1-2H3;1H/q+1;/p-1