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N-[3,5-bis(trifluoromethyl)phenyl]-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

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N-[3,5-bis(trifluoromethyl)phenyl]-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SpectraBase Compound ID BrryIPO4rkp
InChI InChI=1S/C16H10F6N4OS/c17-15(18,19)8-4-9(16(20,21)22)6-10(5-8)24-12(27)7-28-14-25-11-2-1-3-23-13(11)26-14/h1-6H,7H2,(H,24,27)(H,23,25,26)
InChIKey KCDUJKBFUGRHLK-UHFFFAOYSA-N
Mol Weight 420.33 g/mol
Molecular Formula C16H10F6N4OS
Exact Mass 420.047951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGkvDJpFZc3
Name N-[3,5-bis(Trifluoromethyl)phenyl]-2-(3H-imidazo[4,5-B]pyridin-2-ylsulfanyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.047951109 u
Formula C16H10F6N4OS
InChI InChI=1S/C16H10F6N4OS/c17-15(18,19)8-4-9(16(20,21)22)6-10(5-8)24-12(27)7-28-14-25-11-2-1-3-23-13(11)26-14/h1-6H,7H2,(H,24,27)(H,23,25,26)
InChIKey KCDUJKBFUGRHLK-UHFFFAOYSA-N
Molecular Weight 420.333 g/mol
SMILES N1C2=C(N=C1SCC(NC=1C=C(C(F)(F)F)C=C(C(F)(F)F)C1)=O)C=CC=N2