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

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2-{[5-(2-chlorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
SpectraBase Compound ID 2tRI1SXtYvd
InChI InChI=1S/C23H21ClN4O4S/c1-30-15-9-10-19(20(12-15)31-2)25-21(29)14-33-23-27-26-22(17-7-3-4-8-18(17)24)28(23)13-16-6-5-11-32-16/h3-12H,13-14H2,1-2H3,(H,25,29)
InChIKey MECFLWUHXGYBDJ-UHFFFAOYSA-N
Mol Weight 484.96 g/mol
Molecular Formula C23H21ClN4O4S
Exact Mass 484.097204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChUJPgdBavj
Name 2-{[5-(2-Chlorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.097204042 u
Formula C23H21ClN4O4S
InChI InChI=1S/C23H21ClN4O4S/c1-30-15-9-10-19(20(12-15)31-2)25-21(29)14-33-23-27-26-22(17-7-3-4-8-18(17)24)28(23)13-16-6-5-11-32-16/h3-12H,13-14H2,1-2H3,(H,25,29)
InChIKey MECFLWUHXGYBDJ-UHFFFAOYSA-N
Molecular Weight 484.958 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)CC=1OC=CC1)=O)C1=C(C=C(C=C1)OC)OC