[3-cyano-2-[[6-(4-nitrophenyl)sulfanylpyridin-3-yl]methyl]phenyl]-diphenyl-phosphanium bromide

Systemtic Name: [3-cyano-2-[[6-(4-nitrophenyl)sulfanylpyridin-3-yl]methyl]phenyl]-diphenyl-phosphanium bromide Openeye Name: [3-cyano-2-[[6-(4-nitrophenyl)sulfanyl-3-pyridyl]methyl]phenyl]-diphenyl-phosphonium bromide CAS Name: [3-cyano-2-[[6-[(4-nitrophenyl)thio]-3-pyridinyl]methyl]phenyl]-diphenylphosphonium bromide IUPAC Name: [3-cyano-2-[[6-(4-nitrophenyl)sulfanylpyridin-3-yl]methyl]phenyl]-diphenylphosphanium bromide Traditional Name: [3-cyano-2-[[6-[(4-nitrophenyl)thio]-3-pyridyl]methyl]phenyl]-diphenyl-phosphonium bromide Formula: C31H23BrN3O2PS MolecularWeight: 612.475981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC(=C3CC4=CN=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-])C#N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC(=C3CC4=CN=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-])C#N.[Br-]

InChI

InChI=1S/C31H22N3O2PS.BrH/c32-21-24-8-7-13-30(37(26-9-3-1-4-10-26)27-11-5-2-6-12-27)29(24)20-23-14-19-31(33-22-23)38-28-17-15-25(16-18-28)34(35)36;/h1-19,22H,20H2;1H