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4-(2-furylmethyl)-3-[(4-methylbenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole

View entire compound with spectra: 2 NMR

4-(2-furylmethyl)-3-[(4-methylbenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
SpectraBase Compound ID L3skk3GyvUE
InChI InChI=1S/C23H23N3O2S/c1-17-5-9-19(10-6-17)16-29-23-25-24-22(26(23)14-21-4-3-13-27-21)15-28-20-11-7-18(2)8-12-20/h3-13H,14-16H2,1-2H3
InChIKey CTGZTYHYLOLEEQ-UHFFFAOYSA-N
Mol Weight 405.52 g/mol
Molecular Formula C23H23N3O2S
Exact Mass 405.151098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wdqMFxD3V5
Name 4-(2-Furylmethyl)-3-[(4-methylbenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.151098165 u
Formula C23H23N3O2S
InChI InChI=1S/C23H23N3O2S/c1-17-5-9-19(10-6-17)16-29-23-25-24-22(26(23)14-21-4-3-13-27-21)15-28-20-11-7-18(2)8-12-20/h3-13H,14-16H2,1-2H3
InChIKey CTGZTYHYLOLEEQ-UHFFFAOYSA-N
Molecular Weight 405.516 g/mol
SMILES CC1=CC=C(OCC=2N(C(=NN2)SCC2=CC=C(C=C2)C)CC=2OC=CC2)C=C1