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

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2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 38MBUt6GxlJ
InChI InChI=1S/C24H17Cl2F3N4O2S/c1-35-18-9-2-14(3-10-18)22-31-32-23(33(22)17-7-5-16(25)6-8-17)36-13-21(34)30-20-12-15(24(27,28)29)4-11-19(20)26/h2-12H,13H2,1H3,(H,30,34)
InChIKey FCUWOKRQSLOTQZ-UHFFFAOYSA-N
Mol Weight 553.39 g/mol
Molecular Formula C24H17Cl2F3N4O2S
Exact Mass 552.040137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BNlqtxZcMc
Name 2-{[4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-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 552.040136864 u
Formula C24H17Cl2F3N4O2S
InChI InChI=1S/C24H17Cl2F3N4O2S/c1-35-18-9-2-14(3-10-18)22-31-32-23(33(22)17-7-5-16(25)6-8-17)36-13-21(34)30-20-12-15(24(27,28)29)4-11-19(20)26/h2-12H,13H2,1H3,(H,30,34)
InChIKey FCUWOKRQSLOTQZ-UHFFFAOYSA-N
Molecular Weight 553.387 g/mol
SMILES N(C=1C=C(C(F)(F)F)C=CC1Cl)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)C=1C=CC(=CC1)Cl)=O