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

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N-(3-chloro-4-fluorophenyl)-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID EB1217QYdw7
InChI InChI=1S/C19H18ClFN4O2S/c1-3-25-18(12-4-7-14(27-2)8-5-12)23-24-19(25)28-11-17(26)22-13-6-9-16(21)15(20)10-13/h4-10H,3,11H2,1-2H3,(H,22,26)
InChIKey YFKBQKHRADKLLZ-UHFFFAOYSA-N
Mol Weight 420.89 g/mol
Molecular Formula C19H18ClFN4O2S
Exact Mass 420.082303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jqPtsUToji
Name N-(3-Chloro-4-fluorophenyl)-2-{[4-ethyl-5-(4-methoxyphenyl)-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 420.082302871 u
Formula C19H18ClFN4O2S
InChI InChI=1S/C19H18ClFN4O2S/c1-3-25-18(12-4-7-14(27-2)8-5-12)23-24-19(25)28-11-17(26)22-13-6-9-16(21)15(20)10-13/h4-10H,3,11H2,1-2H3,(H,22,26)
InChIKey YFKBQKHRADKLLZ-UHFFFAOYSA-N
Molecular Weight 420.890 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)CC)=O)C1=CC(Cl)=C(C=C1)F