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

Systemtic Name: 2-(4-nitrophenyl)-6-prop-2-enylsulfanyl-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one Openeye Name: 6-allylsulfanyl-2-(4-nitrophenyl)-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one CAS Name: 2-(4-nitrophenyl)-6-(prop-2-enylthio)-5-triphenylphosphoranylidene-4-pyrimidinone IUPAC Name: 2-(4-nitrophenyl)-6-prop-2-enylsulfanyl-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one Traditional Name: 6-(allylthio)-2-(4-nitrophenyl)-5-triphenylphosphoranylidene-pyrimidin-4-one Formula: C31H24N3O3PS MolecularWeight: 549.579321

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=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

C=CCSC1=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/C31H24N3O3PS/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/h2-21H,1,22H2