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2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide

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2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID 3CRKZHPMaPW
InChI InChI=1S/C26H24BrN5O4S/c1-34-21-14-23(36-3)22(35-2)13-18(21)15-28-29-24(33)16-37-26-31-30-25(17-9-11-19(27)12-10-17)32(26)20-7-5-4-6-8-20/h4-15H,16H2,1-3H3,(H,29,33)/b28-15+
InChIKey DBSLSPOJDSKFRA-RWPZCVJISA-N
Mol Weight 582.47 g/mol
Molecular Formula C26H24BrN5O4S
Exact Mass 581.073238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2TfREF7Byh
Name 2-{[5-(4-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 581.073238443 u
Formula C26H24BrN5O4S
InChI InChI=1S/C26H24BrN5O4S/c1-34-21-14-23(36-3)22(35-2)13-18(21)15-28-29-24(33)16-37-26-31-30-25(17-9-11-19(27)12-10-17)32(26)20-7-5-4-6-8-20/h4-15H,16H2,1-3H3,(H,29,33)/b28-15+
InChIKey DBSLSPOJDSKFRA-RWPZCVJISA-N
Molecular Weight 582.473 g/mol
SMILES N(\N=C\C=1C(=CC(=C(C1)OC)OC)OC)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Br)C=1C=CC=CC1)=O