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4H-1,2,4-Triazol-4-amine, 3-methyl-5-[(5-nitro-2-pyridinyl)thio]-
SpectraBase Compound ID 2Yun3XyIsTb
InChI InChI=1S/C8H8N6O2S/c1-5-11-12-8(13(5)9)17-7-3-2-6(4-10-7)14(15)16/h2-4H,9H2,1H3
InChIKey AWCICXMPJBSTJN-UHFFFAOYSA-N
Mol Weight 252.25 g/mol
Molecular Formula C8H8N6O2S
Exact Mass 252.042945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoWX85dO5aq
Name 4H-1,2,4-Triazol-4-amine, 3-methyl-5-[(5-nitro-2-pyridinyl)thio]-
Alternate Name(s) 3-Methyl-5-((5-nitropyridin-2-yl)thio)-4H-1,2,4-triazol-4-amine 3-Methyl-5-[(5-nitropyridin-2-yl)sulfanyl]-4H-1,2,4-triazol-4-amine 3-Methyl-5-[(5-nitro-2-pyridinyl)thio]-1,2,4-triazol-4-amine 3-Methyl-5-[(5-nitro-2-pyridyl)sulfanyl]-1,2,4-triazol-4-amine 3-Methyl-5-(5-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-4-amine
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Formula C8H8N6O2S
InChI InChI=1S/C8H8N6O2S/c1-5-11-12-8(13(5)9)17-7-3-2-6(4-10-7)14(15)16/h2-4H,9H2,1H3
InChIKey AWCICXMPJBSTJN-UHFFFAOYSA-N
Molecular Weight 252.252 g/mol
SMILES N[n]1c(C)nnc1Sc1ccc(cn1)[N+]([O-])=O
SPLASH splash10-0ldl-9640000000-0167c545aed9511f8cc3
Source of Spectrum JX-2015-1-728
Wiley ID 1721518