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3-{4-[(5E)-4-oxo-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}propanenitrile

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3-{4-[(5E)-4-oxo-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}propanenitrile
SpectraBase Compound ID H91dSBgow0L
InChI InChI=1S/C22H19F3N4O2S/c23-22(24,25)16-4-1-3-15(13-16)18-6-5-17(31-18)14-19-20(30)27-21(32-19)29-11-9-28(10-12-29)8-2-7-26/h1,3-6,13-14H,2,8-12H2/b19-14+
InChIKey CIVNXJZKLVLZFZ-XMHGGMMESA-N
Mol Weight 460.48 g/mol
Molecular Formula C22H19F3N4O2S
Exact Mass 460.118082 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L1DyIsHyTod
Name 3-{4-[(5E)-4-oxo-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}propanenitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H19F3N4O2S/c23-22(24,25)16-4-1-3-15(13-16)18-6-5-17(31-18)14-19-20(30)27-21(32-19)29-11-9-28(10-12-29)8-2-7-26/h1,3-6,13-14H,2,8-12H2/b19-14+
InChIKey CIVNXJZKLVLZFZ-XMHGGMMESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12363
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D71854; Labnumber: VLMK0444; SBI_ID: SBI-012366
Synonyms 3-{4-[4-oxo-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}propanenitrile
Temperature 308 °C