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

Systemtic Name: [4-methylsulfanyl-2-(4-nitrophenyl)-6-oxidanylidene-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [4-methylsulfanyl-2-(4-nitrophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [4-(methylthio)-2-(4-nitrophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [4-methylsulfanyl-2-(4-nitrophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: [6-keto-4-(methylthio)-2-(4-nitrophenyl)-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C29H23N3O3PS+ MolecularWeight: 524.549981

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CSC1=C(C(=O)NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

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/p+1