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N-(2,6-dimethylphenyl)-2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)thio]propanamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

N-(2,6-dimethylphenyl)-2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)thio]propanamide
SpectraBase Compound ID 7ExLaR7oi6G
InChI InChI=1S/C18H19N5OS/c1-11-5-4-6-12(2)15(11)20-17(24)13(3)25-18-21-16(22-23-18)14-7-9-19-10-8-14/h4-10,13H,1-3H3,(H,20,24)(H,21,22,23)
InChIKey NZCVXIXDDNWONL-UHFFFAOYSA-N
Mol Weight 353.44 g/mol
Molecular Formula C18H19N5OS
Exact Mass 353.131031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1EWqso7bOXM
Name N-(2,6-Dimethylphenyl)-2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)thio]propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.131031425 u
Formula C18H19N5OS
InChI InChI=1S/C18H19N5OS/c1-11-5-4-6-12(2)15(11)20-17(24)13(3)25-18-21-16(22-23-18)14-7-9-19-10-8-14/h4-10,13H,1-3H3,(H,20,24)(H,21,22,23)
InChIKey NZCVXIXDDNWONL-UHFFFAOYSA-N
Molecular Weight 353.444 g/mol
SMILES CC1=C(NC(C(SC2=NC(=NN2)C2=CC=NC=C2)C)=O)C(=CC=C1)C