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2-[5-(2-Aminophenyl)-4-ethyl-4H-[1,2,4]triazol-3-yl-sulfanyl]-1-(4-fluorophenyl)ethanone

View entire compound with spectra: 1 NMR

2-[5-(2-Aminophenyl)-4-ethyl-4H-[1,2,4]triazol-3-yl-sulfanyl]-1-(4-fluorophenyl)ethanone
SpectraBase Compound ID 7aAkulws0vr
InChI InChI=1S/C18H17FN4OS/c1-2-23-17(14-5-3-4-6-15(14)20)21-22-18(23)25-11-16(24)12-7-9-13(19)10-8-12/h3-10H,2,11,20H2,1H3
InChIKey KYGJMAQBRDVLRZ-UHFFFAOYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C18H17FN4OS
Exact Mass 356.110711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mhUJR4UYjf
Name 2-[5-(2-Aminophenyl)-4-ethyl-4H-[1,2,4]triazol-3-yl-sulfanyl]-1-(4-fluorophenyl)ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.110710519 u
Formula C18H17FN4OS
InChI InChI=1S/C18H17FN4OS/c1-2-23-17(14-5-3-4-6-15(14)20)21-22-18(23)25-11-16(24)12-7-9-13(19)10-8-12/h3-10H,2,11,20H2,1H3
InChIKey KYGJMAQBRDVLRZ-UHFFFAOYSA-N
Molecular Weight 356.419 g/mol
SMILES C=1(N(C(SCC(C2=CC=C(C=C2)F)=O)=NN1)CC)C1=C(C=CC=C1)N