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N-[2-(4-fluorophenyl)ethyl]-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-[2-(4-fluorophenyl)ethyl]-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID ABvfyQvAYaq
InChI InChI=1S/C23H20FN5OS/c24-19-10-8-17(9-11-19)12-14-26-21(30)16-31-23-28-27-22(18-5-4-13-25-15-18)29(23)20-6-2-1-3-7-20/h1-11,13,15H,12,14,16H2,(H,26,30)
InChIKey NWAUECZCWOFDSQ-UHFFFAOYSA-N
Mol Weight 433.51 g/mol
Molecular Formula C23H20FN5OS
Exact Mass 433.13726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZDDvwHpMIb
Name N-[2-(4-Fluorophenyl)ethyl]-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.137259620 u
Formula C23H20FN5OS
InChI InChI=1S/C23H20FN5OS/c24-19-10-8-17(9-11-19)12-14-26-21(30)16-31-23-28-27-22(18-5-4-13-25-15-18)29(23)20-6-2-1-3-7-20/h1-11,13,15H,12,14,16H2,(H,26,30)
InChIKey NWAUECZCWOFDSQ-UHFFFAOYSA-N
Molecular Weight 433.505 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CN=CC=C1)C=1C=CC=CC1)=O)CCC=1C=CC(=CC1)F