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(5Z)-5-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-4(5H)-one
SpectraBase Compound ID FbScXd5F86B
InChI InChI=1S/C24H20F3N5OS/c25-24(26,27)18-7-4-8-19(14-18)31-9-11-32(12-10-31)23-29-22(33)20(34-23)13-17-15-28-30-21(17)16-5-2-1-3-6-16/h1-8,13-15H,9-12H2,(H,28,30)/b20-13-
InChIKey JXYLYYXIHFSDEO-MOSHPQCFSA-N
Mol Weight 483.51 g/mol
Molecular Formula C24H20F3N5OS
Exact Mass 483.134066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2N5bBSHJstS
Name (5Z)-5-[(3-Phenyl-1H-pyrazol-4-yl)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 483.134065946 u
Formula C24H20F3N5OS
InChI InChI=1S/C24H20F3N5OS/c25-24(26,27)18-7-4-8-19(14-18)31-9-11-32(12-10-31)23-29-22(33)20(34-23)13-17-15-28-30-21(17)16-5-2-1-3-6-16/h1-8,13-15H,9-12H2,(H,28,30)/b20-13-
InChIKey JXYLYYXIHFSDEO-MOSHPQCFSA-N
Molecular Weight 483.513 g/mol
SMILES N1N=C(C(=C1)\C=C\1C(N=C(S1)N1CCN(CC1)C1=CC(C(F)(F)F)=CC=C1)=O)C=1C=CC=CC1