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2-Benzyl-1,1,1-triphenyl-3-[(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)amino]-4-(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)-1-phospha-2,4-diazabutadiene

View entire compound with spectra: 1 MS (GC)

2-Benzyl-1,1,1-triphenyl-3-[(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)amino]-4-(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)-1-phospha-2,4-diazabutadiene
SpectraBase Compound ID 2fHLLM36S6G
InChI InChI=1S/C36H34N9O2PS2/c1-26-32(46)44(35(49-3)39-37-26)41-34(42-45-33(47)27(2)38-40-36(45)50-4)43(25-28-17-9-5-10-18-28)48(29-19-11-6-12-20-29,30-21-13-7-14-22-30)31-23-15-8-16-24-31/h5-24H,25H2,1-4H3
InChIKey HWXZARGXPOWETP-UHFFFAOYSA-N
Mol Weight 719.8 g/mol
Molecular Formula C36H34N9O2PS2
Exact Mass 719.201451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KLwdhdOcpT
Name 2-Benzyl-1,1,1-triphenyl-3-[(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)amino]-4-(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)-1-phospha-2,4-diazabutadiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H34N9O2PS2
InChI InChI=1S/C36H34N9O2PS2/c1-26-32(46)44(35(49-3)39-37-26)41-34(42-45-33(47)27(2)38-40-36(45)50-4)43(25-28-17-9-5-10-18-28)48(29-19-11-6-12-20-29,30-21-13-7-14-22-30)31-23-15-8-16-24-31/h5-24H,25H2,1-4H3
InChIKey HWXZARGXPOWETP-UHFFFAOYSA-N
Molecular Weight 719.823 g/mol
SMILES c1(P(=[N+](\C([N-]N2C(C(C)=NN=C2SC)=O)=N/N2C(C(C)=NN=C2SC)=O)Cc2ccccc2)(c2ccccc2)c2ccccc2)ccccc1
SPLASH splash10-00kf-9700000000-b5c69c689e2131a033d7
Source of Spectrum KC-1992-208-8
Synonyms N-[(1Z)-[benzyl(triphenyl-phosphanylidene)azaniumyl]({[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]imino})methyl]-6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-aminide
Wiley ID 776030