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

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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
SpectraBase Compound ID 6lDptPC0Ji2
InChI InChI=1S/C24H28N4OS/c1-6-14-28-22(18-10-12-19(13-11-18)24(3,4)5)26-27-23(28)30-16-21(29)25-20-9-7-8-17(2)15-20/h6-13,15H,1,14,16H2,2-5H3,(H,25,29)
InChIKey QBFXIRGXNVDEDH-UHFFFAOYSA-N
Mol Weight 420.58 g/mol
Molecular Formula C24H28N4OS
Exact Mass 420.198383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYG0sruWcPD
Name 2-{[4-Allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.198382711 u
Formula C24H28N4OS
InChI InChI=1S/C24H28N4OS/c1-6-14-28-22(18-10-12-19(13-11-18)24(3,4)5)26-27-23(28)30-16-21(29)25-20-9-7-8-17(2)15-20/h6-13,15H,1,14,16H2,2-5H3,(H,25,29)
InChIKey QBFXIRGXNVDEDH-UHFFFAOYSA-N
Molecular Weight 420.575 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C(C)(C)C)C=C1)CC=C)=O)C=1C=C(C)C=CC1