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acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E,2Z)-2-bromo-3-phenyl-2-propenylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E,2Z)-2-bromo-3-phenyl-2-propenylidene]hydrazide
SpectraBase Compound ID AfaXBmvRFKs
InChI InChI=1S/C26H22BrN5O2S/c1-34-23-14-12-20(13-15-23)25-30-31-26(32(25)22-10-6-3-7-11-22)35-18-24(33)29-28-17-21(27)16-19-8-4-2-5-9-19/h2-17H,18H2,1H3,(H,29,33)/b21-16-,28-17+
InChIKey IADPHFACCTWFTQ-YDAYMKFSSA-N
Mol Weight 548.46 g/mol
Molecular Formula C26H22BrN5O2S
Exact Mass 547.067759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jdo8EMawgKW
Name Acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E,2Z)-2-bromo-3-phenyl-2-propenylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 547.067759140 u
Formula C26H22BrN5O2S
InChI InChI=1S/C26H22BrN5O2S/c1-34-23-14-12-20(13-15-23)25-30-31-26(32(25)22-10-6-3-7-11-22)35-18-24(33)29-28-17-21(27)16-19-8-4-2-5-9-19/h2-17H,18H2,1H3,(H,29,33)/b21-16-,28-17+
InChIKey IADPHFACCTWFTQ-YDAYMKFSSA-N
Molecular Weight 548.459 g/mol
SMILES N(\N=C\C(=C\C1=CC=CC=C1)Br)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)C1=CC=CC=C1)=O