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1-[(5-(PYRIDIN-3-YL)-1,3,4-THIADIAZOL-2-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
SpectraBase Compound ID 5kk4H7woreB
InChI InChI=1S/C22H16ClN5O2S2/c23-16-7-5-14(6-8-16)18-11-17(19-4-2-10-31-19)27-28(18)20(29)13-32-22-26-25-21(30-22)15-3-1-9-24-12-15/h1-10,12,18H,11,13H2
InChIKey ZEKUDRHGRRYIPX-UHFFFAOYSA-N
Mol Weight 481.98 g/mol
Molecular Formula C22H16ClN5O2S2
Exact Mass 481.043395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jWiJTuKpa8
Name 1-[(5-(PYRIDIN-3-YL)-1,3,4-THIADIAZOL-2-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16ClN5O2S2
InChI InChI=1S/C22H16ClN5O2S2/c23-16-7-5-14(6-8-16)18-11-17(19-4-2-10-31-19)27-28(18)20(29)13-32-22-26-25-21(30-22)15-3-1-9-24-12-15/h1-10,12,18H,11,13H2
InChIKey ZEKUDRHGRRYIPX-UHFFFAOYSA-N
Literature Reference Author M.KARABACAK,M.D.ALTINTOP,H.I.CIFTCI,R.KOGA,M.OTSUKA,M.FUJITA ,A.OEZDEMIR
Literature Reference Citation MOLECULES,20,19066(2015)
Literature Reference DOI 10.3390/molecules201019066
Molecular Weight 481.974 g/mol
Solvent DMSO-D6
Source File Reference UWPA5271