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(5E)-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-5-{[5-(2,4-dichlorophenyl)-2-furyl]methylene}-1,3-thiazol-4(5H)-one
SpectraBase Compound ID ILUC95piA9Z
InChI InChI=1S/C25H20Cl3N3O2S/c1-15-2-4-17(13-20(15)27)30-8-10-31(11-9-30)25-29-24(32)23(34-25)14-18-5-7-22(33-18)19-6-3-16(26)12-21(19)28/h2-7,12-14H,8-11H2,1H3/b23-14+
InChIKey ZKHHNXVCYWQNAN-OEAKJJBVSA-N
Mol Weight 532.87 g/mol
Molecular Formula C25H20Cl3N3O2S
Exact Mass 531.034181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmFSdwyDrrF
Name (5E)-2-[4-(3-Chloro-4-methylphenyl)-1-piperazinyl]-5-{[5-(2,4-dichlorophenyl)-2-furyl]methylene}-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 531.034181168 u
Formula C25H20Cl3N3O2S
InChI InChI=1S/C25H20Cl3N3O2S/c1-15-2-4-17(13-20(15)27)30-8-10-31(11-9-30)25-29-24(32)23(34-25)14-18-5-7-22(33-18)19-6-3-16(26)12-21(19)28/h2-7,12-14H,8-11H2,1H3/b23-14+
InChIKey ZKHHNXVCYWQNAN-OEAKJJBVSA-N
Molecular Weight 532.873 g/mol
SMILES CC=1C=CC(N2CCN(C3=NC(\C(=C/C=4OC(C=5C(=CC(=CC5)Cl)Cl)=CC4)S3)=O)CC2)=CC1Cl