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3,5-Dimethylthio-4-(4-nitrobenzamidino)-1,2,4-triazole

View entire compound with spectra: 1 MS (GC)

3,5-Dimethylthio-4-(4-nitrobenzamidino)-1,2,4-triazole
SpectraBase Compound ID DQ7EmyzuJZ1
InChI InChI=1S/C11H12N6O2S2/c1-20-10-13-14-11(21-2)16(10)15-9(12)7-3-5-8(6-4-7)17(18)19/h3-6H,1-2H3,(H2,12,15)
InChIKey QZAVOHPIQRUXIT-UHFFFAOYSA-N
Mol Weight 324.38 g/mol
Molecular Formula C11H12N6O2S2
Exact Mass 324.046316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DKq1TuW6S
Name 3,5-Dimethylthio-4-(4-nitrobenzamidino)-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N6O2S2
InChI InChI=1S/C11H12N6O2S2/c1-20-10-13-14-11(21-2)16(10)15-9(12)7-3-5-8(6-4-7)17(18)19/h3-6H,1-2H3,(H2,12,15)
InChIKey QZAVOHPIQRUXIT-UHFFFAOYSA-N
Molecular Weight 324.377 g/mol
SMILES N([n]1c(nnc1SC)SC)C(c1ccc(N(=O)=O)cc1)=N
SPLASH splash10-0kka-0933000000-20481c76ddbfd46da373
Source of Spectrum SO-0-418-6
Wiley ID 1537902