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(2E)-2-[(5E)-5-(2-chlorobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylethanamide
SpectraBase Compound ID 1CwAmv2Btt0
InChI InChI=1S/C25H16ClN3O2S/c26-21-14-8-7-9-17(21)15-22-24(31)29(19-12-5-2-6-13-19)25(32-22)20(16-27)23(30)28-18-10-3-1-4-11-18/h1-15H,(H,28,30)/b22-15+,25-20+
InChIKey NLVSUOUSXDOAFS-UZYICCJWSA-N
Mol Weight 457.94 g/mol
Molecular Formula C25H16ClN3O2S
Exact Mass 457.065176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 302qhvGwI9h
Name (2E)-2-[(5E)-5-(2-Chlorobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylethanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.065175639 u
Formula C25H16ClN3O2S
InChI InChI=1S/C25H16ClN3O2S/c26-21-14-8-7-9-17(21)15-22-24(31)29(19-12-5-2-6-13-19)25(32-22)20(16-27)23(30)28-18-10-3-1-4-11-18/h1-15H,(H,28,30)/b22-15+,25-20+
InChIKey NLVSUOUSXDOAFS-UZYICCJWSA-N
Molecular Weight 457.935 g/mol
SMILES N(C(\C(=C/1N(C(=O)\C(S1)=C/C=1C(Cl)=CC=CC1)C=1C=CC=CC1)C#N)=O)C=1C=CC=CC1