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

View entire compound with spectra: 2 NMR

2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 2ypd6fRoxXx
InChI InChI=1S/C23H15Cl2F3N4OS/c24-16-9-6-14(7-10-16)21-30-31-22(32(21)17-4-2-1-3-5-17)34-13-20(33)29-19-12-15(23(26,27)28)8-11-18(19)25/h1-12H,13H2,(H,29,33)
InChIKey AYGDWSBDFZSKMD-UHFFFAOYSA-N
Mol Weight 523.36 g/mol
Molecular Formula C23H15Cl2F3N4OS
Exact Mass 522.029572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8IWGb17iBw
Name 2-{[5-(4-Chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.029572181 u
Formula C23H15Cl2F3N4OS
InChI InChI=1S/C23H15Cl2F3N4OS/c24-16-9-6-14(7-10-16)21-30-31-22(32(21)17-4-2-1-3-5-17)34-13-20(33)29-19-12-15(23(26,27)28)8-11-18(19)25/h1-12H,13H2,(H,29,33)
InChIKey AYGDWSBDFZSKMD-UHFFFAOYSA-N
Molecular Weight 523.361 g/mol
SMILES N(C=1C=C(C(F)(F)F)C=CC1Cl)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C=1C=CC=CC1)=O