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

View entire compound with spectra: 2 NMR

N-(2,5-dimethylphenyl)-2-({4-phenyl-5-[(4-propylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID AdmNQUKSaEK
InChI InChI=1S/C28H30N4O2S/c1-4-8-22-13-15-24(16-14-22)34-18-26-30-31-28(32(26)23-9-6-5-7-10-23)35-19-27(33)29-25-17-20(2)11-12-21(25)3/h5-7,9-17H,4,8,18-19H2,1-3H3,(H,29,33)
InChIKey UMNHBNBYYLEDBI-UHFFFAOYSA-N
Mol Weight 486.63 g/mol
Molecular Formula C28H30N4O2S
Exact Mass 486.208947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pL4iTQFFD4
Name N-(2,5-Dimethylphenyl)-2-({4-phenyl-5-[(4-propylphenoxy)methyl]-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 486.208947394 u
Formula C28H30N4O2S
InChI InChI=1S/C28H30N4O2S/c1-4-8-22-13-15-24(16-14-22)34-18-26-30-31-28(32(26)23-9-6-5-7-10-23)35-19-27(33)29-25-17-20(2)11-12-21(25)3/h5-7,9-17H,4,8,18-19H2,1-3H3,(H,29,33)
InChIKey UMNHBNBYYLEDBI-UHFFFAOYSA-N
Molecular Weight 486.634 g/mol
SMILES N(C=1C(=CC=C(C1)C)C)C(CSC=1N(C(=NN1)COC1=CC=C(C=C1)CCC)C1=CC=CC=C1)=O