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

*Links on SpectraBase are not permalinks.

2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID ItcHIC2zceC
InChI InChI=1S/C18H14ClF3N4O2S/c1-2-7-26-16(14-4-3-8-28-14)24-25-17(26)29-10-15(27)23-13-9-11(18(20,21)22)5-6-12(13)19/h2-6,8-9H,1,7,10H2,(H,23,27)
InChIKey UNYNJUPYCVHHHQ-UHFFFAOYSA-N
Mol Weight 442.84 g/mol
Molecular Formula C18H14ClF3N4O2S
Exact Mass 442.047809 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 5DCyIsTakWm
Name 2-[[4-Allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.047809068 u
Formula C18H14ClF3N4O2S
InChI InChI=1S/C18H14ClF3N4O2S/c1-2-7-26-16(14-4-3-8-28-14)24-25-17(26)29-10-15(27)23-13-9-11(18(20,21)22)5-6-12(13)19/h2-6,8-9H,1,7,10H2,(H,23,27)
InChIKey UNYNJUPYCVHHHQ-UHFFFAOYSA-N
Molecular Weight 442.844 g/mol
SMILES C=CCN1C(=NN=C1SCC(NC1=CC(C(F)(F)F)=CC=C1Cl)=O)C=1OC=CC1