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N-(2,6-dichlorophenyl)-2-{[5-(2,4-dichlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

View entire compound with spectra: 2 NMR

N-(2,6-dichlorophenyl)-2-{[5-(2,4-dichlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID A5DlvvxtBeF
InChI InChI=1S/C23H16Cl4N4OS/c1-13-5-2-3-8-19(13)31-22(15-10-9-14(24)11-18(15)27)29-30-23(31)33-12-20(32)28-21-16(25)6-4-7-17(21)26/h2-11H,12H2,1H3,(H,28,32)
InChIKey NAEXKDLDSSUWBN-UHFFFAOYSA-N
Mol Weight 538.3 g/mol
Molecular Formula C23H16Cl4N4OS
Exact Mass 535.979893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DcffznCfik
Name N-(2,6-Dichlorophenyl)-2-{[5-(2,4-dichlorophenyl)-4-(2-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 535.979893124 u
Formula C23H16Cl4N4OS
InChI InChI=1S/C23H16Cl4N4OS/c1-13-5-2-3-8-19(13)31-22(15-10-9-14(24)11-18(15)27)29-30-23(31)33-12-20(32)28-21-16(25)6-4-7-17(21)26/h2-11H,12H2,1H3,(H,28,32)
InChIKey NAEXKDLDSSUWBN-UHFFFAOYSA-N
Molecular Weight 538.280 g/mol
SMILES N(C1=C(Cl)C=CC=C1Cl)C(CSC=1N(C(=NN1)C=1C(=CC(=CC1)Cl)Cl)C1=C(C)C=CC=C1)=O