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

*Links on SpectraBase are not permalinks.

1H-Benzoimidazole, 2-(4-ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-

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

1H-Benzoimidazole, 2-(4-ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-
SpectraBase Compound ID HngudIFuekk
InChI InChI=1S/C18H17N5S/c1-2-23-17(13-8-4-3-5-9-13)21-22-18(23)24-12-16-19-14-10-6-7-11-15(14)20-16/h3-11H,2,12H2,1H3,(H,19,20)
InChIKey GWODYZHEZLPPAM-UHFFFAOYSA-N
Mol Weight 335.43 g/mol
Molecular Formula C18H17N5S
Exact Mass 335.120467 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 FVoJ1d4YKV1
Name 1H-Benzoimidazole, 2-(4-ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.120466741 u
Formula C18H17N5S
InChI InChI=1S/C18H17N5S/c1-2-23-17(13-8-4-3-5-9-13)21-22-18(23)24-12-16-19-14-10-6-7-11-15(14)20-16/h3-11H,2,12H2,1H3,(H,19,20)
InChIKey GWODYZHEZLPPAM-UHFFFAOYSA-N
Molecular Weight 335.429 g/mol
SMILES C1=CC=C(C=2N(C(SCC3=NC4=C(C=CC=C4)N3)=NN2)CC)C=C1