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N'-[(E)-1-(4-bromophenyl)ethylidene]-2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

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N'-[(E)-1-(4-bromophenyl)ethylidene]-2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID 4QrSiH8KxRx
InChI InChI=1S/C26H24BrN5O2S/c1-17-4-6-20(7-5-17)25-30-31-26(32(25)22-12-14-23(34-3)15-13-22)35-16-24(33)29-28-18(2)19-8-10-21(27)11-9-19/h4-15H,16H2,1-3H3,(H,29,33)/b28-18+
InChIKey URXHODXLSONVKM-MTDXEUNCSA-N
Mol Weight 550.48 g/mol
Molecular Formula C26H24BrN5O2S
Exact Mass 549.083409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6atMnWBm04y
Name N'-[(E)-1-(4-bromophenyl)ethylidene]-2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.083409205 u
Formula C26H24BrN5O2S
InChI InChI=1S/C26H24BrN5O2S/c1-17-4-6-20(7-5-17)25-30-31-26(32(25)22-12-14-23(34-3)15-13-22)35-16-24(33)29-28-18(2)19-8-10-21(27)11-9-19/h4-15H,16H2,1-3H3,(H,29,33)/b28-18+
InChIKey URXHODXLSONVKM-MTDXEUNCSA-N
Molecular Weight 550.475 g/mol
SMILES N(\N=C\(C1=CC=C(C=C1)Br)C)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C1=CC=C(C=C1)OC)=O