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4-Methyl-5-(1-methyl-5-nitro-2-imidazolyl)-3-methylthio-4H-1,2,4-triazole
SpectraBase Compound ID 8sphEsJ7LP6
InChI InChI=1S/C8H10N6O2S/c1-12-5(14(15)16)4-9-6(12)7-10-11-8(17-3)13(7)2/h4H,1-3H3
InChIKey NQPJTWBMDQDFIY-UHFFFAOYSA-N
Mol Weight 254.27 g/mol
Molecular Formula C8H10N6O2S
Exact Mass 254.058595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0TigEkTcZs
Name 4-Methyl-5-(1-methyl-5-nitro-2-imidazolyl)-3-methylthio-4H-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10N6O2S
InChI InChI=1S/C8H10N6O2S/c1-12-5(14(15)16)4-9-6(12)7-10-11-8(17-3)13(7)2/h4H,1-3H3
InChIKey NQPJTWBMDQDFIY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200290004
Molecular Weight 254.268 g/mol
SMILES c1(nnc([n]1C)-c1ncc([n]1C)[N+](=O)[O-])SC
SPLASH splash10-0uxu-9760000000-e5ff004a1c931e4d4c6e
Source of Spectrum APP-335-499-5a
Synonyms 4-Methyl-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-5-(methylthio)-4H-1,2,4-triazole 4-Methyl-3-(1-methyl-5-nitro-2-imidazolyl)-5-(methylthio)-1,2,4-triazole 4-Methyl-3-(1-methyl-5-nitroimidazol-2-yl)-5-methylsulfanyl-1,2,4-triazole 4-Methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-methylsulfanyl-1,2,4-triazole
Wiley ID 1770585