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

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N-(2-methoxy-5-methylphenyl)-2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 6gX3OQqwrj1
InChI InChI=1S/C25H24N4O3S/c1-17-9-14-22(32-3)21(15-17)26-23(30)16-33-25-28-27-24(18-7-5-4-6-8-18)29(25)19-10-12-20(31-2)13-11-19/h4-15H,16H2,1-3H3,(H,26,30)
InChIKey XIAPIAICKGYABN-UHFFFAOYSA-N
Mol Weight 460.55 g/mol
Molecular Formula C25H24N4O3S
Exact Mass 460.156912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DTkP5iWSGu
Name N-(2-Methoxy-5-methylphenyl)-2-{[4-(4-methoxyphenyl)-5-phenyl-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 460.156911820 u
Formula C25H24N4O3S
InChI InChI=1S/C25H24N4O3S/c1-17-9-14-22(32-3)21(15-17)26-23(30)16-33-25-28-27-24(18-7-5-4-6-8-18)29(25)19-10-12-20(31-2)13-11-19/h4-15H,16H2,1-3H3,(H,26,30)
InChIKey XIAPIAICKGYABN-UHFFFAOYSA-N
Molecular Weight 460.552 g/mol
SMILES N(C1=C(C=CC(=C1)C)OC)C(CSC=1N(C(=NN1)C1=CC=CC=C1)C1=CC=C(C=C1)OC)=O