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(5E)-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-1,3-thiazol-4(5H)-one

View entire compound with spectra: 2 NMR

(5E)-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-1,3-thiazol-4(5H)-one
SpectraBase Compound ID INC7D36oEWs
InChI InChI=1S/C26H21ClF3N3O2S/c1-16-5-6-19(14-21(16)27)32-9-11-33(12-10-32)25-31-24(34)23(36-25)15-20-7-8-22(35-20)17-3-2-4-18(13-17)26(28,29)30/h2-8,13-15H,9-12H2,1H3/b23-15+
InChIKey CTLAJHXTDOUVBV-HZHRSRAPSA-N
Mol Weight 531.98 g/mol
Molecular Formula C26H21ClF3N3O2S
Exact Mass 531.09951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8OLm4MvQLUL
Name (5E)-2-[4-(3-Chloro-4-methylphenyl)-1-piperazinyl]-5-({5-[3-(trifluoromethyl)phenyl]-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 531.099510289 u
Formula C26H21ClF3N3O2S
InChI InChI=1S/C26H21ClF3N3O2S/c1-16-5-6-19(14-21(16)27)32-9-11-33(12-10-32)25-31-24(34)23(36-25)15-20-7-8-22(35-20)17-3-2-4-18(13-17)26(28,29)30/h2-8,13-15H,9-12H2,1H3/b23-15+
InChIKey CTLAJHXTDOUVBV-HZHRSRAPSA-N
Molecular Weight 531.981 g/mol
SMILES CC=1C=CC(N2CCN(C3=NC(\C(=C/C=4OC(C=5C=C(C(F)(F)F)C=CC5)=CC4)S3)=O)CC2)=CC1Cl