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

Systemtic Name: [2-(4-nitrophenyl)-6-oxidanylidene-4-sulfanyl-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [2-(4-nitrophenyl)-6-oxo-4-sulfanyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [4-mercapto-2-(4-nitrophenyl)-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [2-(4-nitrophenyl)-6-oxo-4-sulfanyl-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: [6-keto-4-mercapto-2-(4-nitrophenyl)-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C28H21N3O3PS+ MolecularWeight: 510.523401

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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-])S

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-])S

InChI

InChI=1S/C28H20N3O3PS/c32-27-25(28(36)30-26(29-27)20-16-18-21(19-17-20)31(33)34)35(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,(H-,29,30,32,36)/p+1