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N-(2,3-dichlorophenyl)-2-({4-phenyl-5-[(4-propylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID 26WTKQvNEAn
InChI InChI=1S/C26H24Cl2N4O2S/c1-2-7-18-12-14-20(15-13-18)34-16-23-30-31-26(32(23)19-8-4-3-5-9-19)35-17-24(33)29-22-11-6-10-21(27)25(22)28/h3-6,8-15H,2,7,16-17H2,1H3,(H,29,33)
InChIKey FJLOCKMDFILFLT-UHFFFAOYSA-N
Mol Weight 527.47 g/mol
Molecular Formula C26H24Cl2N4O2S
Exact Mass 526.099703 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lxuj4kZE38
Name N-(2,3-Dichlorophenyl)-2-({4-phenyl-5-[(4-propylphenoxy)methyl]-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 526.099702601 u
Formula C26H24Cl2N4O2S
InChI InChI=1S/C26H24Cl2N4O2S/c1-2-7-18-12-14-20(15-13-18)34-16-23-30-31-26(32(23)19-8-4-3-5-9-19)35-17-24(33)29-22-11-6-10-21(27)25(22)28/h3-6,8-15H,2,7,16-17H2,1H3,(H,29,33)
InChIKey FJLOCKMDFILFLT-UHFFFAOYSA-N
Molecular Weight 527.470 g/mol
SMILES N(C1=C(C(Cl)=CC=C1)Cl)C(CSC=1N(C(=NN1)COC1=CC=C(C=C1)CCC)C1=CC=CC=C1)=O