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

View entire compound with spectra: 2 NMR

2-{[5-(2,4-dichlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
SpectraBase Compound ID DsPFo27sNEg
InChI InChI=1S/C25H22Cl2N4OS/c1-15-5-9-19(10-6-15)31-24(20-11-8-18(26)13-21(20)27)29-30-25(31)33-14-23(32)28-22-12-16(2)4-7-17(22)3/h4-13H,14H2,1-3H3,(H,28,32)
InChIKey DTIAGIZSWGXWOJ-UHFFFAOYSA-N
Mol Weight 497.44 g/mol
Molecular Formula C25H22Cl2N4OS
Exact Mass 496.089138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBG82SwyBIQ
Name 2-{[5-(2,4-Dichlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.089137917 u
Formula C25H22Cl2N4OS
InChI InChI=1S/C25H22Cl2N4OS/c1-15-5-9-19(10-6-15)31-24(20-11-8-18(26)13-21(20)27)29-30-25(31)33-14-23(32)28-22-12-16(2)4-7-17(22)3/h4-13H,14H2,1-3H3,(H,28,32)
InChIKey DTIAGIZSWGXWOJ-UHFFFAOYSA-N
Molecular Weight 497.444 g/mol
SMILES N(C=1C(=CC=C(C1)C)C)C(CSC=1N(C(=NN1)C=1C(=CC(=CC1)Cl)Cl)C=1C=CC(=CC1)C)=O