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

View entire compound with spectra: 2 NMR

2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
SpectraBase Compound ID 40EJ45lyfAH
InChI InChI=1S/C23H18ClFN4O2S/c1-31-20-9-5-2-6-17(20)22-27-28-23(29(22)16-12-10-15(24)11-13-16)32-14-21(30)26-19-8-4-3-7-18(19)25/h2-13H,14H2,1H3,(H,26,30)
InChIKey KLUOUJFQSXDJAA-UHFFFAOYSA-N
Mol Weight 468.93 g/mol
Molecular Formula C23H18ClFN4O2S
Exact Mass 468.082303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7lpT6unfzC
Name 2-{[4-(4-Chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.082302871 u
Formula C23H18ClFN4O2S
InChI InChI=1S/C23H18ClFN4O2S/c1-31-20-9-5-2-6-17(20)22-27-28-23(29(22)16-12-10-15(24)11-13-16)32-14-21(30)26-19-8-4-3-7-18(19)25/h2-13H,14H2,1H3,(H,26,30)
InChIKey KLUOUJFQSXDJAA-UHFFFAOYSA-N
Molecular Weight 468.934 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=C(OC)C=CC=C1)C=1C=CC(=CC1)Cl)=O)C1=C(F)C=CC=C1