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

View entire compound with spectra: 2 NMR, and 1 MS (GC)

N-benzyl-2-{[5-(2,4-dichlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 2Ur0nNguggL
InChI InChI=1S/C24H20Cl2N4OS/c1-16-7-5-6-10-21(16)30-23(19-12-11-18(25)13-20(19)26)28-29-24(30)32-15-22(31)27-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,27,31)
InChIKey BESSNXIYPNPCAU-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 Fh0jlNKBV4q
Name 2-[[5-(2,4-Dichlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide
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/c1-16-7-5-6-10-21(16)30-23(19-12-11-18(25)13-20(19)26)28-29-24(30)32-15-22(31)27-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,27,31)
InChIKey BESSNXIYPNPCAU-UHFFFAOYSA-N
Molecular Weight 483.417 g/mol
SMILES C=1C=CC(CNC(CSC=2N(C(=NN2)C=2C(=CC(=CC2)Cl)Cl)C2=C(C)C=CC=C2)=O)=CC1