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N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID HPmXhU64ViX
InChI InChI=1S/C24H20Cl2N4OS/c1-15-6-8-17(9-7-15)23-28-29-24(30(23)19-12-10-18(25)11-13-19)32-14-22(31)27-21-5-3-4-20(26)16(21)2/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey XXMKBRNZYZTNSS-UHFFFAOYSA-N
Mol Weight 483.42 g/mol
Molecular Formula C24H20Cl2N4OS
Exact Mass 482.073488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95y8q39FZ0Q
Name N-(3-Chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.073487853 u
Formula C24H20Cl2N4OS
InChI InChI=1S/C24H20Cl2N4OS/c1-15-6-8-17(9-7-15)23-28-29-24(30(23)19-12-10-18(25)11-13-19)32-14-22(31)27-21-5-3-4-20(26)16(21)2/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey XXMKBRNZYZTNSS-UHFFFAOYSA-N
Molecular Weight 483.417 g/mol
SMILES N(C=1C(=C(Cl)C=CC1)C)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C1=CC=C(C=C1)Cl)=O