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

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N-[4-(benzyloxy)phenyl]-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 2VinnODjeMG
InChI InChI=1S/C34H34N4O3S/c1-34(2,3)26-12-10-25(11-13-26)32-36-37-33(38(32)28-16-20-29(40-4)21-17-28)42-23-31(39)35-27-14-18-30(19-15-27)41-22-24-8-6-5-7-9-24/h5-21H,22-23H2,1-4H3,(H,35,39)
InChIKey UIDPCFWZQHVNGK-UHFFFAOYSA-N
Mol Weight 578.7 g/mol
Molecular Formula C34H34N4O3S
Exact Mass 578.235162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KiWQyL4JcX
Name N-[4-(Benzyloxy)phenyl]-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-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 578.235162142 u
Formula C34H34N4O3S
InChI InChI=1S/C34H34N4O3S/c1-34(2,3)26-12-10-25(11-13-26)32-36-37-33(38(32)28-16-20-29(40-4)21-17-28)42-23-31(39)35-27-14-18-30(19-15-27)41-22-24-8-6-5-7-9-24/h5-21H,22-23H2,1-4H3,(H,35,39)
InChIKey UIDPCFWZQHVNGK-UHFFFAOYSA-N
Molecular Weight 578.731 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(C(C)(C)C)=CC1)C=1C=CC(=CC1)OC)=O)C=1C=CC(OCC2=CC=CC=C2)=CC1