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1-[5-(4-Chlorobenzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-ylmethyl]-3-methoxy-1H-pyridin-2-one
SpectraBase Compound ID GvMfkxXdn0A
InChI InChI=1S/C17H17ClN4O2S/c1-21-15(10-22-9-3-4-14(24-2)16(22)23)19-20-17(21)25-11-12-5-7-13(18)8-6-12/h3-9H,10-11H2,1-2H3
InChIKey OLRYUXHMYARCOY-UHFFFAOYSA-N
Mol Weight 376.86 g/mol
Molecular Formula C17H17ClN4O2S
Exact Mass 376.076075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMUXp1bfQsE
Name 1-[5-(4-Chlorobenzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-ylmethyl]-3-methoxy-1H-pyridin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.076074675 u
Formula C17H17ClN4O2S
InChI InChI=1S/C17H17ClN4O2S/c1-21-15(10-22-9-3-4-14(24-2)16(22)23)19-20-17(21)25-11-12-5-7-13(18)8-6-12/h3-9H,10-11H2,1-2H3
InChIKey OLRYUXHMYARCOY-UHFFFAOYSA-N
Molecular Weight 376.862 g/mol
SMILES COC1=CC=CN(CC=2N(C(SCC=3C=CC(Cl)=CC3)=NN2)C)C1=O