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1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(phenylmethyl)sulfonyl]methyl]-, ethyl ester
SpectraBase Compound ID HZz9XrDq8uI
InChI InChI=1S/C15H16N6O5S/c1-2-25-15(22)12-11(21(20-17-12)14-13(16)18-26-19-14)9-27(23,24)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,16,18)
InChIKey RETPPDOYSRUFJE-UHFFFAOYSA-N
Mol Weight 392.39 g/mol
Molecular Formula C15H16N6O5S
Exact Mass 392.090289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtGNAYHpm9H
Name 1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(phenylmethyl)sulfonyl]methyl]-, ethyl ester
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Formula C15H16N6O5S
InChI InChI=1S/C15H16N6O5S/c1-2-25-15(22)12-11(21(20-17-12)14-13(16)18-26-19-14)9-27(23,24)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,16,18)
InChIKey RETPPDOYSRUFJE-UHFFFAOYSA-N
Molecular Weight 392.390 g/mol
SMILES Nc1nonc1-[n]1c(c(nn1)C(=O)OCC)CS(=O)(Cc1ccccc1)=O
SPLASH splash10-0006-9331000000-ba11f2b94246f5b5a901
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylmethyl)sulfonylmethyl]-4-triazolecarboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzylsulfonylmethyl)triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(phenylmethyl)sulfonylmethyl]-1,2,3-triazole-4-carboxylate
Wiley ID 1449622