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

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2-{[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
SpectraBase Compound ID LRSZaunnhip
InChI InChI=1S/C20H21FN4O2S/c1-4-25-19(14-6-5-7-16(10-14)27-3)23-24-20(25)28-12-18(26)22-15-9-8-13(2)17(21)11-15/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey CJPOVSBQULQYBY-UHFFFAOYSA-N
Mol Weight 400.47 g/mol
Molecular Formula C20H21FN4O2S
Exact Mass 400.136925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZthUUKeWVO
Name 2-{[4-Ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.136925267 u
Formula C20H21FN4O2S
InChI InChI=1S/C20H21FN4O2S/c1-4-25-19(14-6-5-7-16(10-14)27-3)23-24-20(25)28-12-18(26)22-15-9-8-13(2)17(21)11-15/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey CJPOVSBQULQYBY-UHFFFAOYSA-N
Molecular Weight 400.472 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=C(OC)C=CC1)CC)=O)C1=CC(F)=C(C=C1)C