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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-3-pyridinylmethylidene]-5-(2-thienyl)-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 9O9Ig8NsFUZ
InChI InChI=1S/C15H11N9O2S/c16-13-14(22-26-21-13)24-12(10-4-2-6-27-10)11(19-23-24)15(25)20-18-8-9-3-1-5-17-7-9/h1-8H,(H2,16,21)(H,20,25)/b18-8+
InChIKey HKORVWXQNDUDLD-QGMBQPNBSA-N
Mol Weight 381.37 g/mol
Molecular Formula C15H11N9O2S
Exact Mass 381.075642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVGGOdgYSJh
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-3-pyridinylmethylidene]-5-(2-thienyl)-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 381.075641802 u
Formula C15H11N9O2S
InChI InChI=1S/C15H11N9O2S/c16-13-14(22-26-21-13)24-12(10-4-2-6-27-10)11(19-23-24)15(25)20-18-8-9-3-1-5-17-7-9/h1-8H,(H2,16,21)(H,20,25)/b18-8+
InChIKey HKORVWXQNDUDLD-QGMBQPNBSA-N
Molecular Weight 381.374 g/mol
SMILES N(\N=C\C=1C=NC=CC1)C(C1=C(N(C=2C(=NON2)N)N=N1)C=1SC=CC1)=O