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

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2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
SpectraBase Compound ID IZp6kVVv2Bu
InChI InChI=1S/C23H17ClF2N4OS/c1-14-3-2-4-15(11-14)22-28-29-23(30(22)18-8-5-16(24)6-9-18)32-13-21(31)27-17-7-10-19(25)20(26)12-17/h2-12H,13H2,1H3,(H,27,31)
InChIKey IQWBYRAKUVLIMW-UHFFFAOYSA-N
Mol Weight 470.93 g/mol
Molecular Formula C23H17ClF2N4OS
Exact Mass 470.077966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DXSvvAWrJrl
Name 2-{[4-(4-Chlorophenyl)-5-(3-methylphenyl)-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 470.077966382 u
Formula C23H17ClF2N4OS
InChI InChI=1S/C23H17ClF2N4OS/c1-14-3-2-4-15(11-14)22-28-29-23(30(22)18-8-5-16(24)6-9-18)32-13-21(31)27-17-7-10-19(25)20(26)12-17/h2-12H,13H2,1H3,(H,27,31)
InChIKey IQWBYRAKUVLIMW-UHFFFAOYSA-N
Molecular Weight 470.926 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)C=1C=CC(=CC1)Cl)=O)C1=CC(F)=C(C=C1)F