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

Systemtic Name: tributyl-[[5-cyano-6-(4-nitrophenyl)sulfanyl-pyridin-3-yl]methyl]phosphanium Openeye Name: tributyl-[[5-cyano-6-(4-nitrophenyl)sulfanyl-3-pyridyl]methyl]phosphonium CAS Name: tributyl-[[5-cyano-6-[(4-nitrophenyl)thio]-3-pyridinyl]methyl]phosphonium IUPAC Name: tributyl-[[5-cyano-6-(4-nitrophenyl)sulfanylpyridin-3-yl]methyl]phosphanium Traditional Name: tributyl-[[5-cyano-6-[(4-nitrophenyl)thio]-3-pyridyl]methyl]phosphonium Formula: C25H35N3O2PS+ MolecularWeight: 472.603061

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CC1=CN=C(C(=C1)C#N)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CC1=CN=C(C(=C1)C#N)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H35N3O2PS/c1-4-7-14-31(15-8-5-2,16-9-6-3)20-21-17-22(18-26)25(27-19-21)32-24-12-10-23(11-13-24)28(29)30/h10-13,17,19H,4-9,14-16,20H2,1-3H3/q+1