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

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2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
SpectraBase Compound ID AXbNqOYddlB
InChI InChI=1S/C22H14Cl4N4OS/c23-14-3-1-13(2-4-14)21-28-29-22(30(21)17-8-5-15(24)6-9-17)32-12-20(31)27-19-11-16(25)7-10-18(19)26/h1-11H,12H2,(H,27,31)
InChIKey ZHHPOYNUANYGBE-UHFFFAOYSA-N
Mol Weight 524.3 g/mol
Molecular Formula C22H14Cl4N4OS
Exact Mass 521.964243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dyyv98dQ4Fo
Name 2-{[4,5-bis(4-Chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 521.964243060 u
Formula C22H14Cl4N4OS
InChI InChI=1S/C22H14Cl4N4OS/c23-14-3-1-13(2-4-14)21-28-29-22(30(21)17-8-5-15(24)6-9-17)32-12-20(31)27-19-11-16(25)7-10-18(19)26/h1-11H,12H2,(H,27,31)
InChIKey ZHHPOYNUANYGBE-UHFFFAOYSA-N
Molecular Weight 524.253 g/mol
SMILES N(C=1C=C(Cl)C=CC1Cl)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)C1=CC=C(C=C1)Cl)=O