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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(5-amino-1,3,4-thiadiazol-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-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-, ethyl ester
SpectraBase Compound ID C4KaQJbkEXc
InChI InChI=1S/C10H11N9O3S2/c1-2-21-8(20)5-4(3-23-10-15-14-9(12)24-10)19(18-13-5)7-6(11)16-22-17-7/h2-3H2,1H3,(H2,11,16)(H2,12,14)
InChIKey KLLLYFNNZKTPGY-UHFFFAOYSA-N
Mol Weight 369.38 g/mol
Molecular Formula C10H11N9O3S2
Exact Mass 369.042628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7b4zvPNhm5l
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-triazolecarboxylic acid ethyl ester
Alternate Name(s) 1-(4-aminofurazan-3-yl)-5-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]triazole-4-carboxylate Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate
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Formula C10H11N9O3S2
InChI InChI=1S/C10H11N9O3S2/c1-2-21-8(20)5-4(3-23-10-15-14-9(12)24-10)19(18-13-5)7-6(11)16-22-17-7/h2-3H2,1H3,(H2,11,16)(H2,12,14)
InChIKey KLLLYFNNZKTPGY-UHFFFAOYSA-N
Molecular Weight 369.378 g/mol
SMILES Nc1c(-[n]2c(CSc3sc(nn3)N)c(nn2)C(=O)OCC)non1
SPLASH splash10-0w30-9400000000-3b9b52695476c57534a0
Wiley ID 1453872