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

*Links on SpectraBase are not permalinks.

2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide

View entire compound with spectra: 2 NMR

2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID CSP5biKmEEe
InChI InChI=1S/C28H29ClN4OS/c1-18-9-15-22(16-10-18)33-26(20-11-13-21(14-12-20)28(3,4)5)31-32-27(33)35-17-25(34)30-24-8-6-7-23(29)19(24)2/h6-16H,17H2,1-5H3,(H,30,34)
InChIKey XQHIDUVBMPFGRG-UHFFFAOYSA-N
Mol Weight 505.08 g/mol
Molecular Formula C28H29ClN4OS
Exact Mass 504.17506 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 9RdfMbDwKfu
Name 2-{[5-(4-Tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.175060443 u
Formula C28H29ClN4OS
InChI InChI=1S/C28H29ClN4OS/c1-18-9-15-22(16-10-18)33-26(20-11-13-21(14-12-20)28(3,4)5)31-32-27(33)35-17-25(34)30-24-8-6-7-23(29)19(24)2/h6-16H,17H2,1-5H3,(H,30,34)
InChIKey XQHIDUVBMPFGRG-UHFFFAOYSA-N
Molecular Weight 505.080 g/mol
SMILES N(C=1C(=C(Cl)C=CC1)C)C(CSC=1N(C(=NN1)C1=CC=C(C(C)(C)C)C=C1)C1=CC=C(C=C1)C)=O