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2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E,2E)-3-phenyl-2-propenylidene]acetohydrazide

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2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E,2E)-3-phenyl-2-propenylidene]acetohydrazide
SpectraBase Compound ID 4ZQBPOwNO9z
InChI InChI=1S/C22H23N5O2S/c1-3-27-21(18-11-13-19(29-2)14-12-18)25-26-22(27)30-16-20(28)24-23-15-7-10-17-8-5-4-6-9-17/h4-15H,3,16H2,1-2H3,(H,24,28)/b10-7+,23-15+
InChIKey ATFZWVYSGPKNKK-ZREQCHBWSA-N
Mol Weight 421.52 g/mol
Molecular Formula C22H23N5O2S
Exact Mass 421.157246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Als7aSTycsZ
Name 2-{[4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E,2E)-3-phenyl-2-propenylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.157246173 u
Formula C22H23N5O2S
InChI InChI=1S/C22H23N5O2S/c1-3-27-21(18-11-13-19(29-2)14-12-18)25-26-22(27)30-16-20(28)24-23-15-7-10-17-8-5-4-6-9-17/h4-15H,3,16H2,1-2H3,(H,24,28)/b10-7+,23-15+
InChIKey ATFZWVYSGPKNKK-ZREQCHBWSA-N
Molecular Weight 421.519 g/mol
SMILES N(\N=C\C=C\C=1C=CC=CC1)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CC)=O