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

View entire compound with spectra: 2 NMR

N-(4-chlorophenyl)-2-[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID 4FG0vrXEIXA
InChI InChI=1S/C15H17ClN4OS/c1-2-20-14(10-3-4-10)18-19-15(20)22-9-13(21)17-12-7-5-11(16)6-8-12/h5-8,10H,2-4,9H2,1H3,(H,17,21)
InChIKey XNXFQSNXIBIXNP-UHFFFAOYSA-N
Mol Weight 336.84 g/mol
Molecular Formula C15H17ClN4OS
Exact Mass 336.08116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eaa1NS9wbvb
Name N-(4-Chlorophenyl)-2-[(5-cyclopropyl-4-ethyl-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 336.081160056 u
Formula C15H17ClN4OS
InChI InChI=1S/C15H17ClN4OS/c1-2-20-14(10-3-4-10)18-19-15(20)22-9-13(21)17-12-7-5-11(16)6-8-12/h5-8,10H,2-4,9H2,1H3,(H,17,21)
InChIKey XNXFQSNXIBIXNP-UHFFFAOYSA-N
Molecular Weight 336.841 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1CC1)CC)=O)C1=CC=C(C=C1)Cl