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

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N-(2-ethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 4cPSgfIo1wd
InChI InChI=1S/C26H26N4O2S/c1-4-19-7-5-6-8-23(19)27-24(31)17-33-26-29-28-25(20-11-9-18(2)10-12-20)30(26)21-13-15-22(32-3)16-14-21/h5-16H,4,17H2,1-3H3,(H,27,31)
InChIKey HYPMRAXFEKJDGR-UHFFFAOYSA-N
Mol Weight 458.58 g/mol
Molecular Formula C26H26N4O2S
Exact Mass 458.177647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7xzxJI43AX
Name N-(2-Ethylphenyl)-2-{[4-(4-methoxyphenyl)-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 458.177647265 u
Formula C26H26N4O2S
InChI InChI=1S/C26H26N4O2S/c1-4-19-7-5-6-8-23(19)27-24(31)17-33-26-29-28-25(20-11-9-18(2)10-12-20)30(26)21-13-15-22(32-3)16-14-21/h5-16H,4,17H2,1-3H3,(H,27,31)
InChIKey HYPMRAXFEKJDGR-UHFFFAOYSA-N
Molecular Weight 458.580 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C=1C=CC(=CC1)OC)=O)C1=C(CC)C=CC=C1