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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-imidazo[4,5-b]pyridin-2-ylthio)methyl]-4-triazolecarboxylic acid ethyl ester
SpectraBase Compound ID LiyZy3QshTt
InChI InChI=1S/C14H13N9O3S/c1-2-25-13(24)9-8(23(22-19-9)12-10(15)20-26-21-12)6-27-14-17-7-4-3-5-16-11(7)18-14/h3-5H,2,6H2,1H3,(H2,15,20)(H,16,17,18)
InChIKey APUMAATXNMRSEW-UHFFFAOYSA-N
Mol Weight 387.38 g/mol
Molecular Formula C14H13N9O3S
Exact Mass 387.086206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFJkGTljf0J
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-imidazo[4,5-b]pyridin-2-ylthio)methyl]-4-triazolecarboxylic acid ethyl ester
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Formula C14H13N9O3S
InChI InChI=1S/C14H13N9O3S/c1-2-25-13(24)9-8(23(22-19-9)12-10(15)20-26-21-12)6-27-14-17-7-4-3-5-16-11(7)18-14/h3-5H,2,6H2,1H3,(H2,15,20)(H,16,17,18)
InChIKey APUMAATXNMRSEW-UHFFFAOYSA-N
Molecular Weight 387.378 g/mol
SMILES Nc1c(-[n]2c(CSc3nc4ncccc4[nH]3)c(nn2)C(=O)OCC)non1
SPLASH splash10-0udi-2920000000-3bb47c14ac73a54374d3
Synonyms 1-(4-aminofurazan-3-yl)-5-[(1H-imidazo[4,5-b]pyridin-2-ylthio)methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)triazole-4-carboxylate Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate
Wiley ID 1453860