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

Systemtic Name: [2-(4-nitrophenyl)-6-oxidanylidene-4-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [4-benzylsulfanyl-2-(4-nitrophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [2-(4-nitrophenyl)-6-oxo-4-(phenylmethylthio)-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [4-benzylsulfanyl-2-(4-nitrophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: [4-(benzylthio)-6-keto-2-(4-nitrophenyl)-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C35H27N3O3PS+ MolecularWeight: 600.645941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H26N3O3PS/c39-34-32(42(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31)35(43-25-26-13-5-1-6-14-26)37-33(36-34)27-21-23-28(24-22-27)38(40)41/h1-24H,25H2/p+1