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N-(3,5-dimethylphenyl)-2-{[4-(2-furylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID KRms0PVMtdC
InChI InChI=1S/C24H24N4O2S/c1-16-6-8-19(9-7-16)23-26-27-24(28(23)14-21-5-4-10-30-21)31-15-22(29)25-20-12-17(2)11-18(3)13-20/h4-13H,14-15H2,1-3H3,(H,25,29)
InChIKey WNYGBTCASCUCNL-UHFFFAOYSA-N
Mol Weight 432.54 g/mol
Molecular Formula C24H24N4O2S
Exact Mass 432.161997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INRJq9XlyM8
Name N-(3,5-Dimethylphenyl)-2-{[4-(2-furylmethyl)-5-(4-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 432.161997201 u
Formula C24H24N4O2S
InChI InChI=1S/C24H24N4O2S/c1-16-6-8-19(9-7-16)23-26-27-24(28(23)14-21-5-4-10-30-21)31-15-22(29)25-20-12-17(2)11-18(3)13-20/h4-13H,14-15H2,1-3H3,(H,25,29)
InChIKey WNYGBTCASCUCNL-UHFFFAOYSA-N
Molecular Weight 432.542 g/mol
SMILES N(C1=CC(C)=CC(=C1)C)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)CC=1OC=CC1)=O