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5-(1-Methyl-5-nitro-2-imidazolyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID DJDFwSTdNek
InChI InChI=1S/C7H8N6O2S/c1-11-4(13(14)15)3-8-5(11)6-9-10-7(16)12(6)2/h3H,1-2H3,(H,10,16)
InChIKey WAHMCLLNITURBX-UHFFFAOYSA-N
Mol Weight 240.24 g/mol
Molecular Formula C7H8N6O2S
Exact Mass 240.042945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64hoveGvjjr
Name 5-(1-Methyl-5-nitro-2-imidazolyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N6O2S
InChI InChI=1S/C7H8N6O2S/c1-11-4(13(14)15)3-8-5(11)6-9-10-7(16)12(6)2/h3H,1-2H3,(H,10,16)
InChIKey WAHMCLLNITURBX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200290004
Molecular Weight 240.241 g/mol
SMILES N1C(N(C(=N1)c1ncc([n]1C)[N+](=O)[O-])C)=S
SPLASH splash10-06r6-7960000000-092e075933eb2bd416a8
Source of Spectrum APP-335-499-4a
Synonyms 4-Methyl-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1H-1,2,4-triazole-5(4H)-thione 4-Methyl-3-(1-methyl-5-nitro-2-imidazolyl)-1H-1,2,4-triazole-5-thione 4-Methyl-3-(1-methyl-5-nitroimidazol-2-yl)-1H-1,2,4-triazole-5-thione
Wiley ID 1770583