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

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N-(5-chloro-2-methylphenyl)-2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID JLDLQa6ZCNb
InChI InChI=1S/C25H23ClN4OS/c1-16-7-11-21(12-8-16)30-24(19-6-4-5-17(2)13-19)28-29-25(30)32-15-23(31)27-22-14-20(26)10-9-18(22)3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey LSJVWJOMIFEMRP-UHFFFAOYSA-N
Mol Weight 463.0 g/mol
Molecular Formula C25H23ClN4OS
Exact Mass 462.12811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ESjb4crXY4
Name N-(5-Chloro-2-methylphenyl)-2-{[5-(3-methylphenyl)-4-(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 462.128110250 u
Formula C25H23ClN4OS
InChI InChI=1S/C25H23ClN4OS/c1-16-7-11-21(12-8-16)30-24(19-6-4-5-17(2)13-19)28-29-25(30)32-15-23(31)27-22-14-20(26)10-9-18(22)3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey LSJVWJOMIFEMRP-UHFFFAOYSA-N
Molecular Weight 462.999 g/mol
SMILES N(C1=CC(Cl)=CC=C1C)C(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)C1=CC=C(C=C1)C)=O