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3-quinolinecarboxamide, 6-chloro-1-ethyl-1,4-dihydro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-

View entire compound with spectra: 2 NMR

3-quinolinecarboxamide, 6-chloro-1-ethyl-1,4-dihydro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-
SpectraBase Compound ID EA893vRqlUB
InChI InChI=1S/C15H10ClF3N4O2S/c1-2-23-6-9(11(24)8-5-7(16)3-4-10(8)23)12(25)20-14-22-21-13(26-14)15(17,18)19/h3-6H,2H2,1H3,(H,20,22,25)
InChIKey SBHHUYVUFRAWCP-UHFFFAOYSA-N
Mol Weight 402.78 g/mol
Molecular Formula C15H10ClF3N4O2S
Exact Mass 402.016509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7Fk0BOCAV0
Name 3-Quinolinecarboxamide, 6-chloro-1-ethyl-1,4-dihydro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.016508939 u
Formula C15H10ClF3N4O2S
InChI InChI=1S/C15H10ClF3N4O2S/c1-2-23-6-9(11(24)8-5-7(16)3-4-10(8)23)12(25)20-14-22-21-13(26-14)15(17,18)19/h3-6H,2H2,1H3,(H,20,22,25)
InChIKey SBHHUYVUFRAWCP-UHFFFAOYSA-N
Molecular Weight 402.779 g/mol
SMILES N(C=1SC(C(F)(F)F)=NN1)C(C=1C(C=2C(=CC=C(C2)Cl)N(C1)CC)=O)=O