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

View entire compound with spectra: 2 NMR

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-(2-ethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID Lr2KHnSXK2P
InChI InChI=1S/C21H19ClN8O3S/c1-2-32-17-6-4-3-5-13(17)11-24-26-21(31)18-16(12-34-15-9-7-14(22)8-10-15)30(29-25-18)20-19(23)27-33-28-20/h3-11H,2,12H2,1H3,(H2,23,27)(H,26,31)/b24-11+
InChIKey KHAFZMPTVIATKP-BHGWPJFGSA-N
Mol Weight 498.95 g/mol
Molecular Formula C21H19ClN8O3S
Exact Mass 498.098935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KviqBs8rXYq
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-(2-ethoxyphenyl)methylidene]-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 498.098935375 u
Formula C21H19ClN8O3S
InChI InChI=1S/C21H19ClN8O3S/c1-2-32-17-6-4-3-5-13(17)11-24-26-21(31)18-16(12-34-15-9-7-14(22)8-10-15)30(29-25-18)20-19(23)27-33-28-20/h3-11H,2,12H2,1H3,(H2,23,27)(H,26,31)/b24-11+
InChIKey KHAFZMPTVIATKP-BHGWPJFGSA-N
Molecular Weight 498.949 g/mol
SMILES N(\N=C\C1=C(OCC)C=CC=C1)C(C1=C(N(C=2C(=NON2)N)N=N1)CSC=1C=CC(=CC1)Cl)=O