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N-benzyl-2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

View entire compound with spectra: 2 NMR

N-benzyl-2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID 5HoZzsmuebd
InChI InChI=1S/C24H22N4OS/c29-23(25-17-20-12-6-2-7-13-20)18-30-24-27-26-22(16-19-10-4-1-5-11-19)28(24)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,25,29)
InChIKey BRPMMBVTVTUNFG-UHFFFAOYSA-N
Mol Weight 414.53 g/mol
Molecular Formula C24H22N4OS
Exact Mass 414.151433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6A7ARNSoP5F
Name N-Benzyl-2-[(5-benzyl-4-phenyl-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 414.151432517 u
Formula C24H22N4OS
InChI InChI=1S/C24H22N4OS/c29-23(25-17-20-12-6-2-7-13-20)18-30-24-27-26-22(16-19-10-4-1-5-11-19)28(24)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,25,29)
InChIKey BRPMMBVTVTUNFG-UHFFFAOYSA-N
Molecular Weight 414.527 g/mol
SMILES N(C(CSC=1N(C(=NN1)CC1=CC=CC=C1)C=1C=CC=CC1)=O)CC1=CC=CC=C1