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

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2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
SpectraBase Compound ID LN8dvJu86my
InChI InChI=1S/C20H21ClN4O2S/c1-4-25-19(14-7-5-6-8-15(14)21)23-24-20(25)28-12-18(26)22-16-11-13(2)9-10-17(16)27-3/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey QOGDJXYFROAYCS-UHFFFAOYSA-N
Mol Weight 416.93 g/mol
Molecular Formula C20H21ClN4O2S
Exact Mass 416.107375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XQb7PRSGIc
Name 2-{[5-(2-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.107374804 u
Formula C20H21ClN4O2S
InChI InChI=1S/C20H21ClN4O2S/c1-4-25-19(14-7-5-6-8-15(14)21)23-24-20(25)28-12-18(26)22-16-11-13(2)9-10-17(16)27-3/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey QOGDJXYFROAYCS-UHFFFAOYSA-N
Molecular Weight 416.927 g/mol
SMILES N(C1=C(C=CC(=C1)C)OC)C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)CC)=O