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4-Methyl-3-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-5-(methylsulfanyl)-4H-1,2,4-triazole
SpectraBase Compound ID 77rznrGRkDY
InChI InChI=1S/C9H12N6O2S/c1-6-10-4-8(15(16)17)14(6)5-7-11-12-9(18-3)13(7)2/h4H,5H2,1-3H3
InChIKey XIVFKXJUXUROOU-UHFFFAOYSA-N
Mol Weight 268.3 g/mol
Molecular Formula C9H12N6O2S
Exact Mass 268.074245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L054VCNoxAp
Name 4-Methyl-3-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-5-(methylsulfanyl)-4H-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N6O2S
InChI InChI=1S/C9H12N6O2S/c1-6-10-4-8(15(16)17)14(6)5-7-11-12-9(18-3)13(7)2/h4H,5H2,1-3H3
InChIKey XIVFKXJUXUROOU-UHFFFAOYSA-N
Molecular Weight 268.295 g/mol
SMILES c1nc([n](Cc2[n](c(nn2)SC)C)c1N(=O)=O)C
SPLASH splash10-0006-9410000000-43bae03a4e01a79e427d
Source of Spectrum IY-2-5014-8
Synonyms 4-Methyl-3-[(2-methyl-5-nitro-1-imidazolyl)methyl]-5-(methylthio)-1,2,4-triazole 4-Methyl-3-[(2-methyl-5-nitroimidazol-1-yl)methyl]-5-methylsulfanyl-1,2,4-triazole 4-Methyl-3-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-5-methylsulfanyl-1,2,4-triazole
Wiley ID 1658131