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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(6-ethoxy-2-benzothiazolyl)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-[[(6-ethoxy-2-benzothiazolyl)thio]methyl]-, ethyl ester
SpectraBase Compound ID 6NFHRM7kOoV
InChI InChI=1S/C17H17N7O4S2/c1-3-26-9-5-6-10-12(7-9)30-17(19-10)29-8-11-13(16(25)27-4-2)20-23-24(11)15-14(18)21-28-22-15/h5-7H,3-4,8H2,1-2H3,(H2,18,21)
InChIKey OEEGQOJGFOZLIE-UHFFFAOYSA-N
Mol Weight 447.49 g/mol
Molecular Formula C17H17N7O4S2
Exact Mass 447.078344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOKI2u0x0lu
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-4-triazolecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N7O4S2
InChI InChI=1S/C17H17N7O4S2/c1-3-26-9-5-6-10-12(7-9)30-17(19-10)29-8-11-13(16(25)27-4-2)20-23-24(11)15-14(18)21-28-22-15/h5-7H,3-4,8H2,1-2H3,(H2,18,21)
InChIKey OEEGQOJGFOZLIE-UHFFFAOYSA-N
Molecular Weight 447.488 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)OCC)nn2)CSc2nc3ccc(cc3s2)OCC)non1
SPLASH splash10-01q9-2930000000-ad942a2d510aef5fc896
Synonyms 1-(4-aminofurazan-3-yl)-5-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]triazole-4-carboxylate Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate
Wiley ID 1465966