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

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N-(2-ethylphenyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID L3z7l56Mm2n
InChI InChI=1S/C25H24N4OS/c1-3-19-9-7-8-12-22(19)26-23(30)17-31-25-28-27-24(20-15-13-18(2)14-16-20)29(25)21-10-5-4-6-11-21/h4-16H,3,17H2,1-2H3,(H,26,30)
InChIKey ACMGWCNRVCGBEY-UHFFFAOYSA-N
Mol Weight 428.55 g/mol
Molecular Formula C25H24N4OS
Exact Mass 428.167083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tXfaudAMTa
Name N-(2-Ethylphenyl)-2-{[5-(4-methylphenyl)-4-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 428.167082582 u
Formula C25H24N4OS
InChI InChI=1S/C25H24N4OS/c1-3-19-9-7-8-12-22(19)26-23(30)17-31-25-28-27-24(20-15-13-18(2)14-16-20)29(25)21-10-5-4-6-11-21/h4-16H,3,17H2,1-2H3,(H,26,30)
InChIKey ACMGWCNRVCGBEY-UHFFFAOYSA-N
Molecular Weight 428.554 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C=1C=CC=CC1)=O)C1=C(CC)C=CC=C1