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

Systemtic Name: [4-ethylsulfanyl-2-(4-nitrophenyl)-6-oxidanylidene-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [4-ethylsulfanyl-2-(4-nitrophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [4-(ethylthio)-2-(4-nitrophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [4-ethylsulfanyl-2-(4-nitrophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: [4-(ethylthio)-6-keto-2-(4-nitrophenyl)-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C30H25N3O3PS+ MolecularWeight: 538.576561

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=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

CCSC1=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/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/p+1