For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
acetamide, 2-[[5-(2,4-dichlorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethylphenyl)-
SpectraBase Compound ID EgVwsHC3t4p
InChI InChI=1S/C25H22Cl2N4OS/c1-15-5-4-6-19(12-15)31-24(20-9-8-18(26)13-21(20)27)29-30-25(31)33-14-23(32)28-22-10-7-16(2)11-17(22)3/h4-13H,14H2,1-3H3,(H,28,32)
InChIKey OEFQSCYELZCKKZ-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

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GaZtoKE1wDH
Name Acetamide, 2-[[5-(2,4-dichlorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethylphenyl)-
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/c1-15-5-4-6-19(12-15)31-24(20-9-8-18(26)13-21(20)27)29-30-25(31)33-14-23(32)28-22-10-7-16(2)11-17(22)3/h4-13H,14H2,1-3H3,(H,28,32)
InChIKey OEFQSCYELZCKKZ-UHFFFAOYSA-N
Molecular Weight 497.444 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C(=CC(=CC1)Cl)Cl)C=1C=C(C)C=CC1)=O)C1=C(C=C(C=C1)C)C