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

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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chlorophenyl)methylidene]-5-[(methylanilino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID EaCpnDywDnu
InChI InChI=1S/C20H18ClN9O2/c1-29(14-8-3-2-4-9-14)12-16-17(24-28-30(16)19-18(22)26-32-27-19)20(31)25-23-11-13-7-5-6-10-15(13)21/h2-11H,12H2,1H3,(H2,22,26)(H,25,31)/b23-11+
InChIKey FIFYLUBQVPJGJV-FOKLQQMPSA-N
Mol Weight 451.88 g/mol
Molecular Formula C20H18ClN9O2
Exact Mass 451.127199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRwQOWkd75f
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chlorophenyl)methylidene]-5-[(methylanilino)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 451.127198554 u
Formula C20H18ClN9O2
InChI InChI=1S/C20H18ClN9O2/c1-29(14-8-3-2-4-9-14)12-16-17(24-28-30(16)19-18(22)26-32-27-19)20(31)25-23-11-13-7-5-6-10-15(13)21/h2-11H,12H2,1H3,(H2,22,26)(H,25,31)/b23-11+
InChIKey FIFYLUBQVPJGJV-FOKLQQMPSA-N
Molecular Weight 451.878 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\C3=C(Cl)C=CC=C3)=O)N=N2)CN(C2=CC=CC=C2)C)=NON1