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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-pyridinylthio)methyl]-, methyl ester
SpectraBase Compound ID HlhduRnZo9p
InChI InChI=1S/C12H11N7O3S/c1-21-12(20)9-7(6-23-8-4-2-3-5-14-8)19(18-15-9)11-10(13)16-22-17-11/h2-5H,6H2,1H3,(H2,13,16)
InChIKey CWYRYHMFZVQTEO-UHFFFAOYSA-N
Mol Weight 333.33 g/mol
Molecular Formula C12H11N7O3S
Exact Mass 333.064408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azb3YN1eLBI
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-pyridinylthio)methyl]-4-triazolecarboxylic acid methyl ester
Alternate Name(s) 1-(4-aminofurazan-3-yl)-5-[(2-pyridylthio)methyl]triazole-4-carboxylic acid methyl ester Methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-pyridylsulfanylmethyl)triazole-4-carboxylate Methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyridin-2-ylsulfanylmethyl)triazole-4-carboxylate Methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(pyridin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate
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Formula C12H11N7O3S
InChI InChI=1S/C12H11N7O3S/c1-21-12(20)9-7(6-23-8-4-2-3-5-14-8)19(18-15-9)11-10(13)16-22-17-11/h2-5H,6H2,1H3,(H2,13,16)
InChIKey CWYRYHMFZVQTEO-UHFFFAOYSA-N
Molecular Weight 333.326 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)OC)nn2)CSc2ncccc2)non1
SPLASH splash10-0h00-9830000000-7e07f536c25105c84850
Wiley ID 1445016