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

Systemtic Name: 6-ethylsulfanyl-2-(4-nitrophenyl)-5-triphenylphosphaniumyl-pyrimidin-4-olate Openeye Name: 6-ethylsulfanyl-2-(4-nitrophenyl)-5-triphenylphosphaniumyl-pyrimidin-4-olate CAS Name: 6-(ethylthio)-2-(4-nitrophenyl)-5-triphenylphosphiniumyl-4-pyrimidinolate IUPAC Name: 6-ethylsulfanyl-2-(4-nitrophenyl)-5-triphenylphosphaniumylpyrimidin-4-olate Traditional Name: 6-(ethylthio)-2-(4-nitrophenyl)-5-triphenylphosphiniumyl-pyrimidin-4-olate Formula: C30H24N3O3PS MolecularWeight: 537.568621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=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

CCSC1=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/C30H24N3O3PS/c1-2-38-30-27(29(34)31-28(32-30)22-18-20-23(21-19-22)33(35)36)37(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21H,2H2,1H3