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

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N-(4-chloro-2-methylphenyl)-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 3k33ImQ9yuN
InChI InChI=1S/C23H18Cl2N4OS/c1-15-13-16(24)11-12-20(15)26-21(30)14-31-23-28-27-22(18-9-5-6-10-19(18)25)29(23)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,26,30)
InChIKey PNPKQKQKHQXJFI-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 A4edIyxG4AR
Name N-(4-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/c1-15-13-16(24)11-12-20(15)26-21(30)14-31-23-28-27-22(18-9-5-6-10-19(18)25)29(23)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,26,30)
InChIKey PNPKQKQKHQXJFI-UHFFFAOYSA-N
Molecular Weight 469.390 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)C1=CC=CC=C1)=O)C1=C(C=C(C=C1)Cl)C