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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-, ethyl ester
SpectraBase Compound ID L5SKCPMNoE
InChI InChI=1S/C12H14N8O3S/c1-3-22-11(21)8-7(6-24-12-14-4-5-19(12)2)20(18-15-8)10-9(13)16-23-17-10/h4-5H,3,6H2,1-2H3,(H2,13,16)
InChIKey SPDPEGWCMSBUTE-UHFFFAOYSA-N
Mol Weight 350.36 g/mol
Molecular Formula C12H14N8O3S
Exact Mass 350.090958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID De4oBbnqGYZ
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(1-methyl-2-imidazolyl)thio]methyl]-4-triazolecarboxylic acid ethyl ester
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Formula C12H14N8O3S
InChI InChI=1S/C12H14N8O3S/c1-3-22-11(21)8-7(6-24-12-14-4-5-19(12)2)20(18-15-8)10-9(13)16-23-17-10/h4-5H,3,6H2,1-2H3,(H2,13,16)
InChIKey SPDPEGWCMSBUTE-UHFFFAOYSA-N
Molecular Weight 350.357 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)OCC)nn2)CSc2[n](ccn2)C)non1
SPLASH splash10-044i-9820000000-60afa7f6a8d57249265a
Synonyms 1-(4-aminofurazan-3-yl)-5-[[(1-methylimidazol-2-yl)thio]methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]triazole-4-carboxylate Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate
Wiley ID 1453832