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2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide

View entire compound with spectra: 2 NMR

2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID 7HUvU8HmtSj
InChI InChI=1S/C28H29ClN4O2S/c1-19-23(29)11-8-12-24(19)30-26(34)18-36-27-32-31-25(33(27)21-9-6-5-7-10-21)17-35-22-15-13-20(14-16-22)28(2,3)4/h5-16H,17-18H2,1-4H3,(H,30,34)
InChIKey XPNDUGMQMVZBPR-UHFFFAOYSA-N
Mol Weight 521.08 g/mol
Molecular Formula C28H29ClN4O2S
Exact Mass 520.169975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CjQC4mpAE42
Name 2-({5-[(4-Tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.169975062 u
Formula C28H29ClN4O2S
InChI InChI=1S/C28H29ClN4O2S/c1-19-23(29)11-8-12-24(19)30-26(34)18-36-27-32-31-25(33(27)21-9-6-5-7-10-21)17-35-22-15-13-20(14-16-22)28(2,3)4/h5-16H,17-18H2,1-4H3,(H,30,34)
InChIKey XPNDUGMQMVZBPR-UHFFFAOYSA-N
Molecular Weight 521.079 g/mol
SMILES N(C1=C(C(Cl)=CC=C1)C)C(CSC=1N(C(=NN1)COC1=CC=C(C=C1)C(C)(C)C)C1=CC=CC=C1)=O