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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1-(4-bromophenyl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1-(4-bromophenyl)ethylidene]-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID EUqY6Q6rIdF
InChI InChI=1S/C20H17BrN8O2S/c1-12(13-7-9-14(21)10-8-13)23-25-20(30)17-16(11-32-15-5-3-2-4-6-15)29(28-24-17)19-18(22)26-31-27-19/h2-10H,11H2,1H3,(H2,22,26)(H,25,30)/b23-12+
InChIKey YKPVVCBOZNTHOA-FSJBWODESA-N
Mol Weight 513.37 g/mol
Molecular Formula C20H17BrN8O2S
Exact Mass 512.037856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BddyrOf6El1
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1-(4-bromophenyl)ethylidene]-5-[(phenylsulfanyl)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 512.037855991 u
Formula C20H17BrN8O2S
InChI InChI=1S/C20H17BrN8O2S/c1-12(13-7-9-14(21)10-8-13)23-25-20(30)17-16(11-32-15-5-3-2-4-6-15)29(28-24-17)19-18(22)26-31-27-19/h2-10H,11H2,1H3,(H2,22,26)(H,25,30)/b23-12+
InChIKey YKPVVCBOZNTHOA-FSJBWODESA-N
Molecular Weight 513.374 g/mol
SMILES NC=1C(N2C(=C(C(N\N=C\(C3=CC=C(C=C3)Br)C)=O)N=N2)CSC=2C=CC=CC2)=NON1