[4-[(2-chlorophenyl)methylsulfanyl]-2-(4-nitrophenyl)-6-oxidanylidene-1H-pyrimidin-5-yl]-triphenyl-phosphanium

Systemtic Name: [4-[(2-chlorophenyl)methylsulfanyl]-2-(4-nitrophenyl)-6-oxidanylidene-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [4-[(2-chlorophenyl)methylsulfanyl]-2-(4-nitrophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [4-[(2-chlorophenyl)methylthio]-2-(4-nitrophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [4-[(2-chlorophenyl)methylsulfanyl]-2-(4-nitrophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: [4-[(2-chlorobenzyl)thio]-6-keto-2-(4-nitrophenyl)-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C35H26ClN3O3PS+ MolecularWeight: 635.091001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(N=C(NC4=O)C5=CC=C(C=C5)[N+](=O)[O-])SCC6=CC=CC=C6Cl

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(N=C(NC4=O)C5=CC=C(C=C5)[N+](=O)[O-])SCC6=CC=CC=C6Cl

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/p+1