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

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N-(3-chloro-4-methoxyphenyl)-2-{[4-(2-furylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 1WyhW4Fk9aA
InChI InChI=1S/C23H21ClN4O4S/c1-30-17-6-3-5-15(11-17)22-26-27-23(28(22)13-18-7-4-10-32-18)33-14-21(29)25-16-8-9-20(31-2)19(24)12-16/h3-12H,13-14H2,1-2H3,(H,25,29)
InChIKey XJTSDFGCXFAPEU-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 4mFxc97jzy9
Name N-(3-Chloro-4-methoxyphenyl)-2-{[4-(2-furylmethyl)-5-(3-methoxyphenyl)-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 484.097204042 u
Formula C23H21ClN4O4S
InChI InChI=1S/C23H21ClN4O4S/c1-30-17-6-3-5-15(11-17)22-26-27-23(28(22)13-18-7-4-10-32-18)33-14-21(29)25-16-8-9-20(31-2)19(24)12-16/h3-12H,13-14H2,1-2H3,(H,25,29)
InChIKey XJTSDFGCXFAPEU-UHFFFAOYSA-N
Molecular Weight 484.958 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=C(OC)C=CC1)CC=1OC=CC1)=O)C1=CC(Cl)=C(C=C1)OC