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

*Links on SpectraBase are not permalinks.

2-{[4-allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide

View entire compound with spectra: 2 NMR

2-{[4-allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide
SpectraBase Compound ID CdQrdBub1fP
InChI InChI=1S/C17H21BrN4OS/c1-5-10-22-15(12-6-8-13(18)9-7-12)20-21-16(22)24-11-14(23)19-17(2,3)4/h5-9H,1,10-11H2,2-4H3,(H,19,23)
InChIKey OLCRYJZSBTZZAG-UHFFFAOYSA-N
Mol Weight 409.35 g/mol
Molecular Formula C17H21BrN4OS
Exact Mass 408.061945 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 1yzIfTR3qws
Name 2-{[4-Allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.061945485 u
Formula C17H21BrN4OS
InChI InChI=1S/C17H21BrN4OS/c1-5-10-22-15(12-6-8-13(18)9-7-12)20-21-16(22)24-11-14(23)19-17(2,3)4/h5-9H,1,10-11H2,2-4H3,(H,19,23)
InChIKey OLCRYJZSBTZZAG-UHFFFAOYSA-N
Molecular Weight 409.346 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Br)CC=C)=O)C(C)(C)C