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

Systemtic Name: 6-[(2-chlorophenyl)methylsulfanyl]-2-(4-nitrophenyl)-5-triphenylphosphaniumyl-pyrimidin-4-olate Openeye Name: 6-[(2-chlorophenyl)methylsulfanyl]-2-(4-nitrophenyl)-5-triphenylphosphaniumyl-pyrimidin-4-olate CAS Name: 6-[(2-chlorophenyl)methylthio]-2-(4-nitrophenyl)-5-triphenylphosphiniumyl-4-pyrimidinolate IUPAC Name: 6-[(2-chlorophenyl)methylsulfanyl]-2-(4-nitrophenyl)-5-triphenylphosphaniumylpyrimidin-4-olate Traditional Name: 6-[(2-chlorobenzyl)thio]-2-(4-nitrophenyl)-5-triphenylphosphiniumyl-pyrimidin-4-olate Formula: C35H25ClN3O3PS MolecularWeight: 634.083061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(N=C(N=C4SCC5=CC=CC=C5Cl)C6=CC=C(C=C6)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(N=C(N=C4SCC5=CC=CC=C5Cl)C6=CC=C(C=C6)[N+](=O)[O-])[O-]

InChI

InChI=1S/C35H25ClN3O3PS/c36-31-19-11-10-12-26(31)24-44-35-32(34(40)37-33(38-35)25-20-22-27(23-21-25)39(41)42)43(28-13-4-1-5-14-28,29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-23H,24H2