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

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N-(3,4-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 5UNDWoaEtbF
InChI InChI=1S/C26H26N4O2S/c1-17-6-5-7-20(14-17)25-28-29-26(30(25)22-10-12-23(32-4)13-11-22)33-16-24(31)27-21-9-8-18(2)19(3)15-21/h5-15H,16H2,1-4H3,(H,27,31)
InChIKey BHTDEJAQNLYZID-UHFFFAOYSA-N
Mol Weight 458.58 g/mol
Molecular Formula C26H26N4O2S
Exact Mass 458.177647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48P3aLFEn5d
Name N-(3,4-Dimethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-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 458.177647265 u
Formula C26H26N4O2S
InChI InChI=1S/C26H26N4O2S/c1-17-6-5-7-20(14-17)25-28-29-26(30(25)22-10-12-23(32-4)13-11-22)33-16-24(31)27-21-9-8-18(2)19(3)15-21/h5-15H,16H2,1-4H3,(H,27,31)
InChIKey BHTDEJAQNLYZID-UHFFFAOYSA-N
Molecular Weight 458.580 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)C=1C=CC(=CC1)OC)=O)C1=CC(C)=C(C=C1)C