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

*Links on SpectraBase are not permalinks.

N-(3,4-dichlorobenzyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

View entire compound with spectra: 2 NMR

N-(3,4-dichlorobenzyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID Ea62bXWg9lF
InChI InChI=1S/C22H17Cl2N5OS/c23-18-9-8-15(11-19(18)24)12-26-20(30)14-31-22-28-27-21(16-5-4-10-25-13-16)29(22)17-6-2-1-3-7-17/h1-11,13H,12,14H2,(H,26,30)
InChIKey JUERLMBEJFYCGL-UHFFFAOYSA-N
Mol Weight 470.38 g/mol
Molecular Formula C22H17Cl2N5OS
Exact Mass 469.053087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID A7nioXoX3n9
Name N-(3,4-Dichlorobenzyl)-2-{[4-phenyl-5-(3-pyridinyl)-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 469.053086760 u
Formula C22H17Cl2N5OS
InChI InChI=1S/C22H17Cl2N5OS/c23-18-9-8-15(11-19(18)24)12-26-20(30)14-31-22-28-27-21(16-5-4-10-25-13-16)29(22)17-6-2-1-3-7-17/h1-11,13H,12,14H2,(H,26,30)
InChIKey JUERLMBEJFYCGL-UHFFFAOYSA-N
Molecular Weight 470.378 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CN=CC=C1)C1=CC=CC=C1)=O)CC1=CC(Cl)=C(C=C1)Cl