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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
SpectraBase Compound ID DqQJ0D7HpUj
InChI InChI=1S/C24H22ClN5OS/c1-17-10-12-19(13-11-17)27-23(31)16-32-24-29-28-22(30(24)21-8-3-2-4-9-21)15-26-20-7-5-6-18(25)14-20/h2-14,26H,15-16H2,1H3,(H,27,31)
InChIKey JROBJUCYZGWPKS-UHFFFAOYSA-N
Mol Weight 463.99 g/mol
Molecular Formula C24H22ClN5OS
Exact Mass 463.123359 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 16E8wfUCEiJ
Name 2-({5-[(3-Chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.123359221 u
Formula C24H22ClN5OS
InChI InChI=1S/C24H22ClN5OS/c1-17-10-12-19(13-11-17)27-23(31)16-32-24-29-28-22(30(24)21-8-3-2-4-9-21)15-26-20-7-5-6-18(25)14-20/h2-14,26H,15-16H2,1H3,(H,27,31)
InChIKey JROBJUCYZGWPKS-UHFFFAOYSA-N
Molecular Weight 463.987 g/mol
SMILES N(CC=1N(C(SCC(NC=2C=CC(=CC2)C)=O)=NN1)C1=CC=CC=C1)C1=CC(Cl)=CC=C1