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

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2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID GlkfbRlVn9S
InChI InChI=1S/C24H20ClFN4O2S/c1-2-32-21-13-11-20(12-14-21)30-23(16-3-5-17(25)6-4-16)28-29-24(30)33-15-22(31)27-19-9-7-18(26)8-10-19/h3-14H,2,15H2,1H3,(H,27,31)
InChIKey JRKJRHURRDZROC-UHFFFAOYSA-N
Mol Weight 482.96 g/mol
Molecular Formula C24H20ClFN4O2S
Exact Mass 482.097953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIaOnNRtZHq
Name 2-{[5-(4-Chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.097952935 u
Formula C24H20ClFN4O2S
InChI InChI=1S/C24H20ClFN4O2S/c1-2-32-21-13-11-20(12-14-21)30-23(16-3-5-17(25)6-4-16)28-29-24(30)33-15-22(31)27-19-9-7-18(26)8-10-19/h3-14H,2,15H2,1H3,(H,27,31)
InChIKey JRKJRHURRDZROC-UHFFFAOYSA-N
Molecular Weight 482.961 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C=1C=CC(=CC1)OCC)=O)C=1C=CC(=CC1)F