2-(2,4-dichlorophenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-4,5-dihydropyrimidin-4-olate

Systemtic Name: 2-(2,4-dichlorophenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-4,5-dihydropyrimidin-4-olate Openeye Name: 2-(2,4-dichlorophenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-4,5-dihydropyrimidin-4-olate CAS Name: 2-(2,4-dichlorophenyl)-6-(methylthio)-5-triphenylphosphiniumyl-4,5-dihydropyrimidin-4-olate IUPAC Name: 2-(2,4-dichlorophenyl)-6-methylsulfanyl-5-triphenylphosphaniumyl-4,5-dihydropyrimidin-4-olate Traditional Name: 2-(2,4-dichlorophenyl)-6-(methylthio)-5-triphenylphosphiniumyl-4,5-dihydropyrimidin-4-olate Formula: C29H23Cl2N2OPS MolecularWeight: 549.450481

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CSC1=NC(=NC(C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C29H23Cl2N2OPS/c1-36-29-26(28(34)32-27(33-29)24-18-17-20(30)19-25(24)31)35(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19,26,28H,1H3