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

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2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
SpectraBase Compound ID 4iXIFBUQbuH
InChI InChI=1S/C20H21ClN4OS/c1-3-14-9-5-8-12-17(14)22-18(26)13-27-20-24-23-19(25(20)4-2)15-10-6-7-11-16(15)21/h5-12H,3-4,13H2,1-2H3,(H,22,26)
InChIKey HCNCXMMKKUDYDP-UHFFFAOYSA-N
Mol Weight 400.93 g/mol
Molecular Formula C20H21ClN4OS
Exact Mass 400.11246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JvSKOo1LqjG
Name 2-{[5-(2-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.112460185 u
Formula C20H21ClN4OS
InChI InChI=1S/C20H21ClN4OS/c1-3-14-9-5-8-12-17(14)22-18(26)13-27-20-24-23-19(25(20)4-2)15-10-6-7-11-16(15)21/h5-12H,3-4,13H2,1-2H3,(H,22,26)
InChIKey HCNCXMMKKUDYDP-UHFFFAOYSA-N
Molecular Weight 400.928 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)CC)=O)C1=C(CC)C=CC=C1