For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID Ga9T1LkHUIl
InChI InChI=1S/C15H17ClN4OS/c1-9-11(16)4-3-5-12(9)17-13(21)8-22-15-19-18-14(20(15)2)10-6-7-10/h3-5,10H,6-8H2,1-2H3,(H,17,21)
InChIKey JABDRAUOKDXXKL-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

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7gZuljAxMY9
Name N-(3-Chloro-2-methylphenyl)-2-[(5-cyclopropyl-4-methyl-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/c1-9-11(16)4-3-5-12(9)17-13(21)8-22-15-19-18-14(20(15)2)10-6-7-10/h3-5,10H,6-8H2,1-2H3,(H,17,21)
InChIKey JABDRAUOKDXXKL-UHFFFAOYSA-N
Molecular Weight 336.841 g/mol
SMILES N(C=1C(=C(Cl)C=CC1)C)C(CSC=1N(C(=NN1)C1CC1)C)=O