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N,N'-{Bis[.alpha.,.alpha.'-bis(5-amino-2-oxo-1,3,4-thiadiazolin-3-yl)-o-xylene]}

View entire compound with spectra: 1 MS (GC)

N,N'-{Bis[.alpha.,.alpha.'-bis(5-amino-2-oxo-1,3,4-thiadiazolin-3-yl)-o-xylene]}
SpectraBase Compound ID 2xzRxkYAK2b
InChI InChI=1S/C20H18N6O2S2/c27-19-25-11-15-7-3-4-8-16(15)12-26-20(28)30-18(24-26)22-10-14-6-2-1-5-13(14)9-21-17(23-25)29-19/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChIKey CWQCDWAZYJIZDL-UHFFFAOYSA-N
Mol Weight 438.52 g/mol
Molecular Formula C20H18N6O2S2
Exact Mass 438.093266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBtKrpRHMi2
Name N,N'-{Bis[.alpha.,.alpha.'-bis(5-amino-2-oxo-1,3,4-thiadiazolin-3-yl)-o-xylene]}
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Formula C20H18N6O2S2
InChI InChI=1S/C20H18N6O2S2/c27-19-25-11-15-7-3-4-8-16(15)12-26-20(28)30-18(24-26)22-10-14-6-2-1-5-13(14)9-21-17(23-25)29-19/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChIKey CWQCDWAZYJIZDL-UHFFFAOYSA-N
Molecular Weight 438.524 g/mol
SMILES N1Cc2c(CNC3=NN(Cc4c(CN5C(SC1=N5)=O)cccc4)C(S3)=O)cccc2
SPLASH splash10-014i-0190100000-6c46b04f2a79bc38759f
Source of Spectrum QB-20-613-4
Wiley ID 842229