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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-4-triazolecarboxylic acid ethyl ester
SpectraBase Compound ID 97ugjG93ow0
InChI InChI=1S/C16H16N8O3S/c1-3-26-15(25)12-11(24(23-20-12)14-13(17)21-27-22-14)7-28-16-18-9-5-4-8(2)6-10(9)19-16/h4-6H,3,7H2,1-2H3,(H2,17,21)(H,18,19)
InChIKey NGCKJYXZLKEAPN-UHFFFAOYSA-N
Mol Weight 400.42 g/mol
Molecular Formula C16H16N8O3S
Exact Mass 400.106608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YgH0Cj3tA
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-4-triazolecarboxylic acid ethyl ester
Alternate Name(s) 1-(4-aminofurazan-3-yl)-5-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]triazole-4-carboxylate Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate
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Formula C16H16N8O3S
InChI InChI=1S/C16H16N8O3S/c1-3-26-15(25)12-11(24(23-20-12)14-13(17)21-27-22-14)7-28-16-18-9-5-4-8(2)6-10(9)19-16/h4-6H,3,7H2,1-2H3,(H2,17,21)(H,18,19)
InChIKey NGCKJYXZLKEAPN-UHFFFAOYSA-N
Molecular Weight 400.417 g/mol
SMILES Nc1c(-[n]2c(CSc3nc4cc(C)ccc4[nH]3)c(nn2)C(=O)OCC)non1
SPLASH splash10-03di-6920000000-642c09ed17230f6a9dd4
Wiley ID 1443778