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-(4-methylphenyl)acetamide

View entire compound with spectra: 2 NMR

2-{[4-allyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
SpectraBase Compound ID DQR8IBTwFhC
InChI InChI=1S/C20H19BrN4OS/c1-3-12-25-19(15-6-8-16(21)9-7-15)23-24-20(25)27-13-18(26)22-17-10-4-14(2)5-11-17/h3-11H,1,12-13H2,2H3,(H,22,26)
InChIKey FHZNTCOVWNPZTJ-UHFFFAOYSA-N
Mol Weight 443.36 g/mol
Molecular Formula C20H19BrN4OS
Exact Mass 442.046295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 6FZApPoOXzZ
Name 2-{[4-Allyl-5-(4-bromophenyl)-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 442.046295421 u
Formula C20H19BrN4OS
InChI InChI=1S/C20H19BrN4OS/c1-3-12-25-19(15-6-8-16(21)9-7-15)23-24-20(25)27-13-18(26)22-17-10-4-14(2)5-11-17/h3-11H,1,12-13H2,2H3,(H,22,26)
InChIKey FHZNTCOVWNPZTJ-UHFFFAOYSA-N
Molecular Weight 443.363 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Br)CC=C)=O)C=1C=CC(C)=CC1