2-(4-nitrophenyl)-6-oxidanylidene-5-triphenylphosphaniumyl-1,3-diazinane-4-thiolate

Systemtic Name: 2-(4-nitrophenyl)-6-oxidanylidene-5-triphenylphosphaniumyl-1,3-diazinane-4-thiolate Openeye Name: 2-(4-nitrophenyl)-6-oxo-5-triphenylphosphaniumyl-hexahydropyrimidine-4-thiolate CAS Name: 2-(4-nitrophenyl)-6-oxo-5-triphenylphosphiniumyl-1,3-diazinane-4-thiolate IUPAC Name: 2-(4-nitrophenyl)-6-oxo-5-triphenylphosphaniumyl-1,3-diazinane-4-thiolate Traditional Name: 6-keto-2-(4-nitrophenyl)-5-triphenylphosphiniumyl-hexahydropyrimidine-4-thiolate Formula: C28H24N3O3PS MolecularWeight: 513.547221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2C(NC(NC2=O)C3=CC=C(C=C3)[N+](=O)[O-])[S-])(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2C(NC(NC2=O)C3=CC=C(C=C3)[N+](=O)[O-])[S-])(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24N3O3PS/c32-27-25(28(36)30-26(29-27)20-16-18-21(19-17-20)31(33)34)35(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,25-26,28,30H,(H-,29,32,36)