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N-(3,5-dimethoxyphenyl)-2-({4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

View entire compound with spectra: 2 NMR

N-(3,5-dimethoxyphenyl)-2-({4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID GBnGJdgR9rq
InChI InChI=1S/C25H26N4O5S/c1-17-6-8-19(9-7-17)34-15-23-27-28-25(29(23)14-20-5-4-10-33-20)35-16-24(30)26-18-11-21(31-2)13-22(12-18)32-3/h4-13H,14-16H2,1-3H3,(H,26,30)
InChIKey AESMPZINXWKJKP-UHFFFAOYSA-N
Mol Weight 494.57 g/mol
Molecular Formula C25H26N4O5S
Exact Mass 494.162391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IGvYNZlYLDC
Name N-(3,5-Dimethoxyphenyl)-2-({4-(2-furylmethyl)-5-[(4-methylphenoxy)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 494.162391122 u
Formula C25H26N4O5S
InChI InChI=1S/C25H26N4O5S/c1-17-6-8-19(9-7-17)34-15-23-27-28-25(29(23)14-20-5-4-10-33-20)35-16-24(30)26-18-11-21(31-2)13-22(12-18)32-3/h4-13H,14-16H2,1-3H3,(H,26,30)
InChIKey AESMPZINXWKJKP-UHFFFAOYSA-N
Molecular Weight 494.566 g/mol
SMILES N(C1=CC(OC)=CC(=C1)OC)C(CSC=1N(C(=NN1)COC1=CC=C(C=C1)C)CC=1OC=CC1)=O