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

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2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID 6uND0OVInoV
InChI InChI=1S/C26H23Cl2N5O3S/c1-3-36-22-13-4-17(14-23(22)35-2)15-29-30-24(34)16-37-26-32-31-25(18-5-7-19(27)8-6-18)33(26)21-11-9-20(28)10-12-21/h4-15H,3,16H2,1-2H3,(H,30,34)/b29-15+
InChIKey GMIJWOITGVIRBY-WKULSOCRSA-N
Mol Weight 556.47 g/mol
Molecular Formula C26H23Cl2N5O3S
Exact Mass 555.089866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPs2UYiKpG1
Name 2-{[4,5-bis(4-Chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 555.089866192 u
Formula C26H23Cl2N5O3S
InChI InChI=1S/C26H23Cl2N5O3S/c1-3-36-22-13-4-17(14-23(22)35-2)15-29-30-24(34)16-37-26-32-31-25(18-5-7-19(27)8-6-18)33(26)21-11-9-20(28)10-12-21/h4-15H,3,16H2,1-2H3,(H,30,34)/b29-15+
InChIKey GMIJWOITGVIRBY-WKULSOCRSA-N
Molecular Weight 556.468 g/mol
SMILES N(\N=C\C=1C=C(OC)C(=CC1)OCC)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C1=CC=C(C=C1)Cl)=O