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

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2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
SpectraBase Compound ID mRNZROOLsx
InChI InChI=1S/C20H21FN4OS/c1-4-25-19(15-8-5-13(2)6-9-15)23-24-20(25)27-12-18(26)22-16-10-7-14(3)17(21)11-16/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey MMIKNSLYAUBPQW-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C20H21FN4OS
Exact Mass 384.142011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPbPXygnKvg
Name 2-{[4-Ethyl-5-(4-methylphenyl)-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 384.142010648 u
Formula C20H21FN4OS
InChI InChI=1S/C20H21FN4OS/c1-4-25-19(15-8-5-13(2)6-9-15)23-24-20(25)27-12-18(26)22-16-10-7-14(3)17(21)11-16/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey MMIKNSLYAUBPQW-UHFFFAOYSA-N
Molecular Weight 384.473 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)CC)=O)C1=CC(F)=C(C=C1)C