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

Systemtic Name: 2-(4-methylphenyl)-6-propylsulfanyl-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one Openeye Name: 6-propylsulfanyl-2-(p-tolyl)-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one CAS Name: 2-(4-methylphenyl)-6-(propylthio)-5-triphenylphosphoranylidene-4-pyrimidinone IUPAC Name: 2-(4-methylphenyl)-6-propylsulfanyl-5-(triphenyl-$l^{5}-phosphanylidene)pyrimidin-4-one Traditional Name: 6-(propylthio)-2-(p-tolyl)-5-triphenylphosphoranylidene-pyrimidin-4-one Formula: C32H29N2OPS MolecularWeight: 520.624221

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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)C

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)C

InChI

InChI=1S/C32H29N2OPS/c1-3-23-37-32-29(31(35)33-30(34-32)25-21-19-24(2)20-22-25)36(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-22H,3,23H2,1-2H3