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

View entire compound with spectra: 2 NMR

N-(3-chloro-4-methoxyphenyl)-2-{[4-(2-furylmethyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 4VTP3fsBwtm
InChI InChI=1S/C23H21ClN4O3S/c1-15-5-7-16(8-6-15)22-26-27-23(28(22)13-18-4-3-11-31-18)32-14-21(29)25-17-9-10-20(30-2)19(24)12-17/h3-12H,13-14H2,1-2H3,(H,25,29)
InChIKey RSWHIWMTBYOPEG-UHFFFAOYSA-N
Mol Weight 468.96 g/mol
Molecular Formula C23H21ClN4O3S
Exact Mass 468.102289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 173GiJpBoYD
Name N-(3-Chloro-4-methoxyphenyl)-2-{[4-(2-furylmethyl)-5-(4-methylphenyl)-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 468.102289423 u
Formula C23H21ClN4O3S
InChI InChI=1S/C23H21ClN4O3S/c1-15-5-7-16(8-6-15)22-26-27-23(28(22)13-18-4-3-11-31-18)32-14-21(29)25-17-9-10-20(30-2)19(24)12-17/h3-12H,13-14H2,1-2H3,(H,25,29)
InChIKey RSWHIWMTBYOPEG-UHFFFAOYSA-N
Molecular Weight 468.959 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)CC=1OC=CC1)=O)C1=CC(Cl)=C(C=C1)OC