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(5E)-5-{[5-(4-methylphenyl)-2-furyl]methylene}-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-4(5H)-one
SpectraBase Compound ID 1KpvviViqjC
InChI InChI=1S/C26H22F3N3O2S/c1-17-5-7-18(8-6-17)22-10-9-21(34-22)16-23-24(33)30-25(35-23)32-13-11-31(12-14-32)20-4-2-3-19(15-20)26(27,28)29/h2-10,15-16H,11-14H2,1H3/b23-16+
InChIKey DPWUOIYKZRJREM-XQNSMLJCSA-N
Mol Weight 497.54 g/mol
Molecular Formula C26H22F3N3O2S
Exact Mass 497.138483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K40O9rgu4dw
Name (5E)-5-{[5-(4-Methylphenyl)-2-furyl]methylene}-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.138482621 u
Formula C26H22F3N3O2S
InChI InChI=1S/C26H22F3N3O2S/c1-17-5-7-18(8-6-17)22-10-9-21(34-22)16-23-24(33)30-25(35-23)32-13-11-31(12-14-32)20-4-2-3-19(15-20)26(27,28)29/h2-10,15-16H,11-14H2,1H3/b23-16+
InChIKey DPWUOIYKZRJREM-XQNSMLJCSA-N
Molecular Weight 497.536 g/mol
SMILES CC=1C=CC(C=2OC(\C=C/3C(N=C(S3)N3CCN(CC3)C3=CC(C(F)(F)F)=CC=C3)=O)=CC2)=CC1