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(2E)-2-[(5E)-5-(3-bromobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,4-dichlorophenyl)ethanamide
SpectraBase Compound ID 783tpBiczyV
InChI InChI=1S/C25H14BrCl2N3O2S/c26-16-6-4-5-15(11-16)12-22-24(33)31(18-7-2-1-3-8-18)25(34-22)19(14-29)23(32)30-21-10-9-17(27)13-20(21)28/h1-13H,(H,30,32)/b22-12+,25-19+
InChIKey ZQMKFVKQHKGZIE-RKPOSHQWSA-N
Mol Weight 571.28 g/mol
Molecular Formula C25H14BrCl2N3O2S
Exact Mass 568.936716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bvc7MMAcuUZ
Name (2E)-2-[(5E)-5-(3-Bromobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,4-dichlorophenyl)ethanamide
Comments Computed using HOSE algorithm
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Exact Mass 568.936716275 u
Formula C25H14BrCl2N3O2S
InChI InChI=1S/C25H14BrCl2N3O2S/c26-16-6-4-5-15(11-16)12-22-24(33)31(18-7-2-1-3-8-18)25(34-22)19(14-29)23(32)30-21-10-9-17(27)13-20(21)28/h1-13H,(H,30,32)/b22-12+,25-19+
InChIKey ZQMKFVKQHKGZIE-RKPOSHQWSA-N
Molecular Weight 571.276 g/mol
SMILES N(C(\C(=C/1N(C(=O)\C(S1)=C/C=1C=C(Br)C=CC1)C1=CC=CC=C1)C#N)=O)C1=C(C=C(C=C1)Cl)Cl