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

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N-(3-chloro-2-methylphenyl)-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 2B01yEbd0Ej
InChI InChI=1S/C23H18Cl2N4OS/c1-15-18(24)12-7-13-20(15)26-21(30)14-31-23-28-27-22(17-10-5-6-11-19(17)25)29(23)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,26,30)
InChIKey ZUISDYYMEKDLKQ-UHFFFAOYSA-N
Mol Weight 469.39 g/mol
Molecular Formula C23H18Cl2N4OS
Exact Mass 468.057838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kow9mrH6Ym
Name N-(3-Chloro-2-methylphenyl)-2-{[5-(2-chlorophenyl)-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 468.057837789 u
Formula C23H18Cl2N4OS
InChI InChI=1S/C23H18Cl2N4OS/c1-15-18(24)12-7-13-20(15)26-21(30)14-31-23-28-27-22(17-10-5-6-11-19(17)25)29(23)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,26,30)
InChIKey ZUISDYYMEKDLKQ-UHFFFAOYSA-N
Molecular Weight 469.390 g/mol
SMILES N(C=1C(=C(Cl)C=CC1)C)C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)C1=CC=CC=C1)=O