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

View entire compound with spectra: 2 NMR

N-(4-butylphenyl)-2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 1equJEsVdRG
InChI InChI=1S/C23H28N4OS/c1-4-6-7-18-10-14-20(15-11-18)24-21(28)16-29-23-26-25-22(27(23)5-2)19-12-8-17(3)9-13-19/h8-15H,4-7,16H2,1-3H3,(H,24,28)
InChIKey GESHFTYRYJFJLL-UHFFFAOYSA-N
Mol Weight 408.56 g/mol
Molecular Formula C23H28N4OS
Exact Mass 408.198383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Rr6TNTiBmm
Name N-(4-Butylphenyl)-2-{[4-ethyl-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 408.198382711 u
Formula C23H28N4OS
InChI InChI=1S/C23H28N4OS/c1-4-6-7-18-10-14-20(15-11-18)24-21(28)16-29-23-26-25-22(27(23)5-2)19-12-8-17(3)9-13-19/h8-15H,4-7,16H2,1-3H3,(H,24,28)
InChIKey GESHFTYRYJFJLL-UHFFFAOYSA-N
Molecular Weight 408.564 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)CC)=O)C=1C=CC(=CC1)CCCC