[4-(cyanomethylsulfanyl)-2-phenyl-1H-imidazol-5-yl]-triphenyl-phosphanium chloride

Systemtic Name: [4-(cyanomethylsulfanyl)-2-phenyl-1H-imidazol-5-yl]-triphenyl-phosphanium chloride Openeye Name: [4-(cyanomethylsulfanyl)-2-phenyl-1H-imidazol-5-yl]-triphenyl-phosphonium chloride CAS Name: [4-(cyanomethylthio)-2-phenyl-1H-imidazol-5-yl]-triphenylphosphonium chloride IUPAC Name: [4-(cyanomethylsulfanyl)-2-phenyl-1H-imidazol-5-yl]-triphenylphosphanium chloride Traditional Name: [4-(cyanomethylthio)-2-phenyl-1H-imidazol-5-yl]-triphenyl-phosphonium chloride Formula: C29H23ClN3PS MolecularWeight: 512.004781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(N2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SCC#N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(N2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SCC#N.[Cl-]

InChI

InChI=1S/C29H23N3PS.ClH/c30-21-22-34-29-28(31-27(32-29)23-13-5-1-6-14-23)33(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,22H2,(H,31,32);1H/q+1;/p-1