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2-[(2E)-2-((2E)-2-{3-[(2-chlorobenzyl)oxy]benzylidene}hydrazono)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SpectraBase Compound ID 5ZgDSmAKBSY
InChI InChI=1S/C25H21ClN4O3S/c26-21-12-5-4-8-18(21)16-33-20-11-6-7-17(13-20)15-27-30-25-29-24(32)22(34-25)14-23(31)28-19-9-2-1-3-10-19/h1-13,15,22H,14,16H2,(H,28,31)(H,29,30,32)/b27-15+
InChIKey WLDHVLDEGXXFKA-JFLMPSFJSA-N
Mol Weight 492.98 g/mol
Molecular Formula C25H21ClN4O3S
Exact Mass 492.102289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dvzM4ncQ75
Name 2-[(2E)-2-((2E)-2-{3-[(2-Chlorobenzyl)oxy]benzylidene}hydrazono)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.102289423 u
Formula C25H21ClN4O3S
InChI InChI=1S/C25H21ClN4O3S/c26-21-12-5-4-8-18(21)16-33-20-11-6-7-17(13-20)15-27-30-25-29-24(32)22(34-25)14-23(31)28-19-9-2-1-3-10-19/h1-13,15,22H,14,16H2,(H,28,31)(H,29,30,32)/b27-15+
InChIKey WLDHVLDEGXXFKA-JFLMPSFJSA-N
Molecular Weight 492.981 g/mol
SMILES N(C(CC1S\C(NC1=O)=N/N=C/C=1C=C(OCC2=C(Cl)C=CC=C2)C=CC1)=O)C=1C=CC=CC1