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N-(5-chloro-2-methylphenyl)-2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID AW770UJfwCm
InChI InChI=1S/C19H18Cl2N4OS/c1-3-25-18(13-5-4-6-14(20)9-13)23-24-19(25)27-11-17(26)22-16-10-15(21)8-7-12(16)2/h4-10H,3,11H2,1-2H3,(H,22,26)
InChIKey FWDRUDOJZPULEM-UHFFFAOYSA-N
Mol Weight 421.35 g/mol
Molecular Formula C19H18Cl2N4OS
Exact Mass 420.057838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UlRdzXbQ2c
Name N-(5-Chloro-2-methylphenyl)-2-{[5-(3-chlorophenyl)-4-ethyl-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 420.057837789 u
Formula C19H18Cl2N4OS
InChI InChI=1S/C19H18Cl2N4OS/c1-3-25-18(13-5-4-6-14(20)9-13)23-24-19(25)27-11-17(26)22-16-10-15(21)8-7-12(16)2/h4-10H,3,11H2,1-2H3,(H,22,26)
InChIKey FWDRUDOJZPULEM-UHFFFAOYSA-N
Molecular Weight 421.346 g/mol
SMILES N(C1=CC(Cl)=CC=C1C)C(CSC=1N(C(=NN1)C1=CC(Cl)=CC=C1)CC)=O