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

Systemtic Name: [5-cyano-6-(4-nitrophenyl)sulfanyl-pyridin-3-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [5-cyano-6-(4-nitrophenyl)sulfanyl-3-pyridyl]methyl-triphenyl-phosphonium bromide CAS Name: [5-cyano-6-[(4-nitrophenyl)thio]-3-pyridinyl]methyl-triphenylphosphonium bromide IUPAC Name: [5-cyano-6-(4-nitrophenyl)sulfanylpyridin-3-yl]methyl-triphenylphosphanium bromide Traditional Name: [5-cyano-6-[(4-nitrophenyl)thio]-3-pyridyl]methyl-triphenyl-phosphonium bromide Formula: C31H23BrN3O2PS MolecularWeight: 612.475981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CN=C(C(=C2)C#N)SC3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CN=C(C(=C2)C#N)SC3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C31H23N3O2PS.BrH/c32-21-25-20-24(22-33-31(25)38-30-18-16-26(17-19-30)34(35)36)23-37(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29;/h1-20,22H,23H2;1H/q+1;/p-1