2-(4-nitrophenyl)-6-propylsulfanyl-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one

Systemtic Name: 2-(4-nitrophenyl)-6-propylsulfanyl-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one Openeye Name: 2-(4-nitrophenyl)-6-propylsulfanyl-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one CAS Name: 2-(4-nitrophenyl)-6-(propylthio)-5-triphenylphosphoranylidene-4-pyrimidinone IUPAC Name: 2-(4-nitrophenyl)-6-propylsulfanyl-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one Traditional Name: 2-(4-nitrophenyl)-6-(propylthio)-5-triphenylphosphoranylidene-pyrimidin-4-one Formula: C31H26N3O3PS MolecularWeight: 551.595201

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC(=O)C1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCSC1=NC(=NC(=O)C1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H26N3O3PS/c1-2-22-39-31-28(30(35)32-29(33-31)23-18-20-24(21-19-23)34(36)37)38(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21H,2,22H2,1H3