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

View entire compound with spectra: 2 NMR

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID EqgzqvjqR2H
InChI InChI=1S/C24H18ClF3N4O2S/c1-34-18-10-8-17(9-11-18)32-22(15-5-3-2-4-6-15)30-31-23(32)35-14-21(33)29-20-13-16(24(26,27)28)7-12-19(20)25/h2-13H,14H2,1H3,(H,29,33)
InChIKey SYLKMVDIKSYTAT-UHFFFAOYSA-N
Mol Weight 518.94 g/mol
Molecular Formula C24H18ClF3N4O2S
Exact Mass 518.079109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWBLBU52doV
Name N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methoxyphenyl)-5-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 518.079109197 u
Formula C24H18ClF3N4O2S
InChI InChI=1S/C24H18ClF3N4O2S/c1-34-18-10-8-17(9-11-18)32-22(15-5-3-2-4-6-15)30-31-23(32)35-14-21(33)29-20-13-16(24(26,27)28)7-12-19(20)25/h2-13H,14H2,1H3,(H,29,33)
InChIKey SYLKMVDIKSYTAT-UHFFFAOYSA-N
Molecular Weight 518.942 g/mol
SMILES N(C1=CC(C(F)(F)F)=CC=C1Cl)C(CSC=1N(C(=NN1)C1=CC=CC=C1)C=1C=CC(=CC1)OC)=O