(5-cyanopyridin-3-yl)methyl-[[2-(4-nitrophenyl)sulfanylphenyl]-diphenyl-methyl]phosphanium bromide

Systemtic Name: (5-cyanopyridin-3-yl)methyl-[[2-(4-nitrophenyl)sulfanylphenyl]-diphenyl-methyl]phosphanium bromide Openeye Name: (5-cyano-3-pyridyl)methyl-[[2-(4-nitrophenyl)sulfanylphenyl]-diphenyl-methyl]phosphonium bromide CAS Name: (5-cyano-3-pyridinyl)methyl-[[2-[(4-nitrophenyl)thio]phenyl]-diphenylmethyl]phosphonium bromide IUPAC Name: (5-cyanopyridin-3-yl)methyl-[[2-(4-nitrophenyl)sulfanylphenyl]-diphenylmethyl]phosphanium bromide Traditional Name: (5-cyano-3-pyridyl)methyl-[[2-[(4-nitrophenyl)thio]phenyl]-diphenyl-methyl]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=C3SC4=CC=C(C=C4)[N+](=O)[O-])[PH2+]CC5=CN=CC(=C5)C#N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3SC4=CC=C(C=C4)[N+](=O)[O-])[PH2+]CC5=CN=CC(=C5)C#N.[Br-]

InChI

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