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2-{[4-(2-furylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide
SpectraBase Compound ID IOm89q3T7pL
InChI InChI=1S/C24H24N4O2S/c1-17(2)20-12-6-7-13-21(20)25-22(29)16-31-24-27-26-23(18-9-4-3-5-10-18)28(24)15-19-11-8-14-30-19/h3-14,17H,15-16H2,1-2H3,(H,25,29)
InChIKey QUCNMVIWRUSUFF-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 JBVf9W6aVB9
Name 2-{[4-(2-Furylmethyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)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/c1-17(2)20-12-6-7-13-21(20)25-22(29)16-31-24-27-26-23(18-9-4-3-5-10-18)28(24)15-19-11-8-14-30-19/h3-14,17H,15-16H2,1-2H3,(H,25,29)
InChIKey QUCNMVIWRUSUFF-UHFFFAOYSA-N
Molecular Weight 432.542 g/mol
SMILES N(C1=C(C(C)C)C=CC=C1)C(CSC=1N(C(=NN1)C=1C=CC=CC1)CC=1OC=CC1)=O