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N-[5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

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N-[5-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
SpectraBase Compound ID mRUUgTMp2h
InChI InChI=1S/C20H17F3N4O2S2/c21-20(22,23)14-8-4-5-9-15(14)24-17(29)12-30-19-27-26-18(31-19)25-16(28)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,24,29)(H,25,26,28)
InChIKey MGQHNVCOBDEABA-UHFFFAOYSA-N
Mol Weight 466.5 g/mol
Molecular Formula C20H17F3N4O2S2
Exact Mass 466.074503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5CkKPIJct40
Name N-[5-({2-oxo-2-[2-(Trifluoromethyl)anilino]ethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.074502638 u
Formula C20H17F3N4O2S2
InChI InChI=1S/C20H17F3N4O2S2/c21-20(22,23)14-8-4-5-9-15(14)24-17(29)12-30-19-27-26-18(31-19)25-16(28)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,24,29)(H,25,26,28)
InChIKey MGQHNVCOBDEABA-UHFFFAOYSA-N
Molecular Weight 466.497 g/mol
SMILES N(C(CSC=1SC(=NN1)NC(=O)CCC=1C=CC=CC1)=O)C1=CC=CC=C1C(F)(F)F