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2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide

View entire compound with spectra: 2 NMR

2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide
SpectraBase Compound ID BhtxydOUycY
InChI InChI=1S/C24H21ClN4O3S/c1-31-21-10-6-5-9-20(21)26-23(30)16-33-24-28-27-22(29(24)18-7-3-2-4-8-18)15-32-19-13-11-17(25)12-14-19/h2-14H,15-16H2,1H3,(H,26,30)
InChIKey BQKVMBGVRULMBX-UHFFFAOYSA-N
Mol Weight 480.97 g/mol
Molecular Formula C24H21ClN4O3S
Exact Mass 480.102289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkOXabeEIPL
Name 2-({5-[(4-Chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.102289423 u
Formula C24H21ClN4O3S
InChI InChI=1S/C24H21ClN4O3S/c1-31-21-10-6-5-9-20(21)26-23(30)16-33-24-28-27-22(29(24)18-7-3-2-4-8-18)15-32-19-13-11-17(25)12-14-19/h2-14H,15-16H2,1H3,(H,26,30)
InChIKey BQKVMBGVRULMBX-UHFFFAOYSA-N
Molecular Weight 480.970 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC=1C=CC(=CC1)Cl)C1=CC=CC=C1)=O)C1=C(OC)C=CC=C1