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

View entire compound with spectra: 2 NMR

N'-[(E)-(3-bromo-4-methoxyphenyl)methylidene]-2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID IF3qIEnoK2B
InChI InChI=1S/C26H24BrN5O3S/c1-17-4-9-20(10-5-17)32-25(19-7-11-21(34-2)12-8-19)30-31-26(32)36-16-24(33)29-28-15-18-6-13-23(35-3)22(27)14-18/h4-15H,16H2,1-3H3,(H,29,33)/b28-15+
InChIKey CXQVCGHSMARDQU-RWPZCVJISA-N
Mol Weight 566.47 g/mol
Molecular Formula C26H24BrN5O3S
Exact Mass 565.078324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4LVIsY6eDU
Name N'-[(E)-(3-bromo-4-methoxyphenyl)methylidene]-2-{[5-(4-methoxyphenyl)-4-(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 565.078323824 u
Formula C26H24BrN5O3S
InChI InChI=1S/C26H24BrN5O3S/c1-17-4-9-20(10-5-17)32-25(19-7-11-21(34-2)12-8-19)30-31-26(32)36-16-24(33)29-28-15-18-6-13-23(35-3)22(27)14-18/h4-15H,16H2,1-3H3,(H,29,33)/b28-15+
InChIKey CXQVCGHSMARDQU-RWPZCVJISA-N
Molecular Weight 566.474 g/mol
SMILES N(\N=C\C=1C=C(Br)C(=CC1)OC)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)C=1C=CC(=CC1)C)=O