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

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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-hydroxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID Geyv1cVSOWV
InChI InChI=1S/C20H18N8O3S/c1-12-5-7-15(8-6-12)32-11-16-17(23-27-28(16)19-18(21)25-31-26-19)20(30)24-22-10-13-3-2-4-14(29)9-13/h2-10,29H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+
InChIKey IWRUZMARYHCWAI-LSHDLFTRSA-N
Mol Weight 450.48 g/mol
Molecular Formula C20H18N8O3S
Exact Mass 450.122258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 72nzDCM9OOh
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-hydroxyphenyl)methylidene]-5-{[(4-methylphenyl)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 450.122257643 u
Formula C20H18N8O3S
InChI InChI=1S/C20H18N8O3S/c1-12-5-7-15(8-6-12)32-11-16-17(23-27-28(16)19-18(21)25-31-26-19)20(30)24-22-10-13-3-2-4-14(29)9-13/h2-10,29H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+
InChIKey IWRUZMARYHCWAI-LSHDLFTRSA-N
Molecular Weight 450.477 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C3=CC(=CC=C3)O)=O)N=N2)CSC2=CC=C(C=C2)C)=NON1