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N,N'-{Bis[.alpha.,.alpha.'-bis(5-amino-2-oxo-1,3,4-thiadiazolin-3-yl)-m-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)-m-xylene]}
SpectraBase Compound ID 9auTB1RBz3f
InChI InChI=1S/C20H18N6O2S2/c27-19-25-11-15-5-2-6-16(8-15)12-26-20(28)30-18(24-26)22-10-14-4-1-3-13(7-14)9-21-17(23-25)29-19/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChIKey BCWUTOBMNAESAG-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 9Vfel88dLl8
Name N,N'-{Bis[.alpha.,.alpha.'-bis(5-amino-2-oxo-1,3,4-thiadiazolin-3-yl)-m-xylene]}
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N6O2S2
InChI InChI=1S/C20H18N6O2S2/c27-19-25-11-15-5-2-6-16(8-15)12-26-20(28)30-18(24-26)22-10-14-4-1-3-13(7-14)9-21-17(23-25)29-19/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChIKey BCWUTOBMNAESAG-UHFFFAOYSA-N
Molecular Weight 438.524 g/mol
SMILES N1Cc2cc(CNC=3SC(N(Cc4cc(CN5C(=O)SC1=N5)ccc4)N3)=O)ccc2
SPLASH splash10-000i-0300900000-32c2aa0c91f318c73a7b
Source of Spectrum QB-20-613-4
Wiley ID 842228