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2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-difluorophenyl)acetamide

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2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-difluorophenyl)acetamide
SpectraBase Compound ID LBjoi1Bs3EY
InChI InChI=1S/C19H17ClF2N4O2S/c1-2-26-17(10-28-14-6-3-12(20)4-7-14)24-25-19(26)29-11-18(27)23-13-5-8-15(21)16(22)9-13/h3-9H,2,10-11H2,1H3,(H,23,27)
InChIKey IBVLKSFFTBBDTC-UHFFFAOYSA-N
Mol Weight 438.88 g/mol
Molecular Formula C19H17ClF2N4O2S
Exact Mass 438.072881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44wayUGmBxM
Name 2-({5-[(4-Chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-difluorophenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.072881001 u
Formula C19H17ClF2N4O2S
InChI InChI=1S/C19H17ClF2N4O2S/c1-2-26-17(10-28-14-6-3-12(20)4-7-14)24-25-19(26)29-11-18(27)23-13-5-8-15(21)16(22)9-13/h3-9H,2,10-11H2,1H3,(H,23,27)
InChIKey IBVLKSFFTBBDTC-UHFFFAOYSA-N
Molecular Weight 438.881 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC1=CC=C(C=C1)Cl)CC)=O)C1=CC(F)=C(C=C1)F