6-methylsulfanyl-2-(4-nitrophenyl)-5-triphenylphosphaniumyl-pyrimidin-4-olate

Systemtic Name: 6-methylsulfanyl-2-(4-nitrophenyl)-5-triphenylphosphaniumyl-pyrimidin-4-olate Openeye Name: 6-methylsulfanyl-2-(4-nitrophenyl)-5-triphenylphosphaniumyl-pyrimidin-4-olate CAS Name: 6-(methylthio)-2-(4-nitrophenyl)-5-triphenylphosphiniumyl-4-pyrimidinolate IUPAC Name: 6-methylsulfanyl-2-(4-nitrophenyl)-5-triphenylphosphaniumylpyrimidin-4-olate Traditional Name: 6-(methylthio)-2-(4-nitrophenyl)-5-triphenylphosphiniumyl-pyrimidin-4-olate Formula: C29H22N3O3PS MolecularWeight: 523.542041

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC(=NC(=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H22N3O3PS/c1-37-29-26(28(33)30-27(31-29)21-17-19-22(20-18-21)32(34)35)36(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3