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

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N-(4-chloro-2-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID FiIOXluJMig
InChI InChI=1S/C25H23ClN4O2S/c1-3-32-21-12-10-20(11-13-21)30-24(18-7-5-4-6-8-18)28-29-25(30)33-16-23(31)27-22-14-9-19(26)15-17(22)2/h4-15H,3,16H2,1-2H3,(H,27,31)
InChIKey KCRAAAVDWWRWMW-UHFFFAOYSA-N
Mol Weight 479.0 g/mol
Molecular Formula C25H23ClN4O2S
Exact Mass 478.123025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bfddjn1uBX
Name N-(4-Chloro-2-methylphenyl)-2-{[4-(4-ethoxyphenyl)-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 478.123024869 u
Formula C25H23ClN4O2S
InChI InChI=1S/C25H23ClN4O2S/c1-3-32-21-12-10-20(11-13-21)30-24(18-7-5-4-6-8-18)28-29-25(30)33-16-23(31)27-22-14-9-19(26)15-17(22)2/h4-15H,3,16H2,1-2H3,(H,27,31)
InChIKey KCRAAAVDWWRWMW-UHFFFAOYSA-N
Molecular Weight 478.998 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC=CC1)C=1C=CC(=CC1)OCC)=O)C1=C(C=C(C=C1)Cl)C