[5-cyano-6-(4-nitrophenyl)sulfanyl-pyridin-3-yl]methyl-(triphenylmethyl)phosphanium bromide

Systemtic Name: [5-cyano-6-(4-nitrophenyl)sulfanyl-pyridin-3-yl]methyl-(triphenylmethyl)phosphanium bromide Openeye Name: [5-cyano-6-(4-nitrophenyl)sulfanyl-3-pyridyl]methyl-trityl-phosphonium bromide CAS Name: [5-cyano-6-[(4-nitrophenyl)thio]-3-pyridinyl]methyl-(triphenylmethyl)phosphonium bromide IUPAC Name: [5-cyano-6-(4-nitrophenyl)sulfanylpyridin-3-yl]methyl-tritylphosphanium bromide Traditional Name: [5-cyano-6-[(4-nitrophenyl)thio]-3-pyridyl]methyl-trityl-phosphonium bromide Formula: C32H25BrN3O2PS MolecularWeight: 626.502561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)[PH2+]CC4=CN=C(C(=C4)C#N)SC5=CC=C(C=C5)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)[PH2+]CC4=CN=C(C(=C4)C#N)SC5=CC=C(C=C5)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C32H24N3O2PS.BrH/c33-21-25-20-24(22-34-31(25)39-30-18-16-29(17-19-30)35(36)37)23-38-32(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28;/h1-20,22,38H,23H2;1H