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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-isopropylphenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide

View entire compound with spectra: 2 NMR

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-isopropylphenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 9Y4BpzvaOrk
InChI InChI=1S/C19H21N11O2S/c1-11(2)13-6-4-12(5-7-13)8-21-24-18(31)15-14(9-33-19-25-22-10-29(19)3)30(28-23-15)17-16(20)26-32-27-17/h4-8,10-11H,9H2,1-3H3,(H2,20,26)(H,24,31)/b21-8+
InChIKey OJBGAJZJYMRWCJ-ODCIPOBUSA-N
Mol Weight 467.51 g/mol
Molecular Formula C19H21N11O2S
Exact Mass 467.16004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H2ZWkdyStEo
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-isopropylphenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.160040132 u
Formula C19H21N11O2S
InChI InChI=1S/C19H21N11O2S/c1-11(2)13-6-4-12(5-7-13)8-21-24-18(31)15-14(9-33-19-25-22-10-29(19)3)30(28-23-15)17-16(20)26-32-27-17/h4-8,10-11H,9H2,1-3H3,(H2,20,26)(H,24,31)/b21-8+
InChIKey OJBGAJZJYMRWCJ-ODCIPOBUSA-N
Molecular Weight 467.512 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)C(C)C)C(C1=C(N(C=2C(=NON2)N)N=N1)CSC=1N(C=NN1)C)=O