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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-(4-hydroxyphenyl)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)-(4-hydroxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID E1GEx9yoRTO
InChI InChI=1S/C19H15ClN8O3S/c20-12-3-7-14(8-4-12)32-10-15-16(23-27-28(15)18-17(21)25-31-26-18)19(30)24-22-9-11-1-5-13(29)6-2-11/h1-9,29H,10H2,(H2,21,25)(H,24,30)/b22-9+
InChIKey ZKILRKFADVQVEI-LSFURLLWSA-N
Mol Weight 470.9 g/mol
Molecular Formula C19H15ClN8O3S
Exact Mass 470.067635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40adaci3YkB
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(E)-(4-hydroxyphenyl)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 470.067635246 u
Formula C19H15ClN8O3S
InChI InChI=1S/C19H15ClN8O3S/c20-12-3-7-14(8-4-12)32-10-15-16(23-27-28(15)18-17(21)25-31-26-18)19(30)24-22-9-11-1-5-13(29)6-2-11/h1-9,29H,10H2,(H2,21,25)(H,24,30)/b22-9+
InChIKey ZKILRKFADVQVEI-LSFURLLWSA-N
Molecular Weight 470.895 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)O)C(C1=C(N(C=2C(=NON2)N)N=N1)CSC=1C=CC(=CC1)Cl)=O