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

View entire compound with spectra: 2 NMR

2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
SpectraBase Compound ID 13weugdwPrE
InChI InChI=1S/C22H14Cl2F2N4OS/c23-13-5-8-15(9-6-13)30-21(16-3-1-2-4-17(16)24)28-29-22(30)32-12-20(31)27-14-7-10-18(25)19(26)11-14/h1-11H,12H2,(H,27,31)
InChIKey SPRNNOYVHGOMDM-UHFFFAOYSA-N
Mol Weight 491.34 g/mol
Molecular Formula C22H14Cl2F2N4OS
Exact Mass 490.023344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vpGvYqWGhU
Name 2-{[5-(2-Chlorophenyl)-4-(4-chlorophenyl)-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 490.023343986 u
Formula C22H14Cl2F2N4OS
InChI InChI=1S/C22H14Cl2F2N4OS/c23-13-5-8-15(9-6-13)30-21(16-3-1-2-4-17(16)24)28-29-22(30)32-12-20(31)27-14-7-10-18(25)19(26)11-14/h1-11H,12H2,(H,27,31)
InChIKey SPRNNOYVHGOMDM-UHFFFAOYSA-N
Molecular Weight 491.344 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)C=1C=CC(=CC1)Cl)=O)C1=CC(F)=C(C=C1)F