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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-5-[(phenylsulfanyl)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)-(3,4-dimethoxyphenyl)methylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID LuCvaWjmJyu
InChI InChI=1S/C21H20N8O4S/c1-31-16-9-8-13(10-17(16)32-2)11-23-25-21(30)18-15(12-34-14-6-4-3-5-7-14)29(28-24-18)20-19(22)26-33-27-20/h3-11H,12H2,1-2H3,(H2,22,26)(H,25,30)/b23-11+
InChIKey PDOSXRZFOMKZST-FOKLQQMPSA-N
Mol Weight 480.5 g/mol
Molecular Formula C21H20N8O4S
Exact Mass 480.132822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SN7xXBjBmF
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-5-[(phenylsulfanyl)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 480.132822326 u
Formula C21H20N8O4S
InChI InChI=1S/C21H20N8O4S/c1-31-16-9-8-13(10-17(16)32-2)11-23-25-21(30)18-15(12-34-14-6-4-3-5-7-14)29(28-24-18)20-19(22)26-33-27-20/h3-11H,12H2,1-2H3,(H2,22,26)(H,25,30)/b23-11+
InChIKey PDOSXRZFOMKZST-FOKLQQMPSA-N
Molecular Weight 480.503 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C3=CC(OC)=C(C=C3)OC)=O)N=N2)CSC=2C=CC=CC2)=NON1