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2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-trifluoromethoxy-phenyl)-acetamide

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2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-trifluoromethoxy-phenyl)-acetamide
SpectraBase Compound ID 6sWz2MQq74b
InChI InChI=1S/C12H11F3N4O2S/c1-19-7-16-18-11(19)22-6-10(20)17-8-2-4-9(5-3-8)21-12(13,14)15/h2-5,7H,6H2,1H3,(H,17,20)
InChIKey FTZGPWDDQDJCHL-UHFFFAOYSA-N
Mol Weight 332.3 g/mol
Molecular Formula C12H11F3N4O2S
Exact Mass 332.055481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8yvQfHx2P8N
Name 2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-trifluoromethoxy-phenyl)-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.055481271 u
Formula C12H11F3N4O2S
InChI InChI=1S/C12H11F3N4O2S/c1-19-7-16-18-11(19)22-6-10(20)17-8-2-4-9(5-3-8)21-12(13,14)15/h2-5,7H,6H2,1H3,(H,17,20)
InChIKey FTZGPWDDQDJCHL-UHFFFAOYSA-N
Molecular Weight 332.301 g/mol
SMILES C1=C(C=CC(=C1)NC(CSC=1N(C=NN1)C)=O)OC(F)(F)F