2-{2-[(4-Methoxyphenyl)sulfanyl]ethyl}-5-phenyl-1,3,4-oxadiazole
5991
Reference
2-{2-[(4-Methoxyphenyl)sulfanyl]ethyl}-5-phenyl-1,3,4-oxadiazole Structure
Systematic / IUPAC Name: 2-[2-(4-Methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
ID: Reference5991
Other Names: 1,3,4-Oxadiazole, 2-{2-[(4-methoxyphenyl)thio]ethyl}-5-phenyl-
Formula: C17H16N2O2S
Spectral Data
2-{2-[(4-Methoxyphenyl)sulfanyl]ethyl}-5-phenyl-1,3,4-oxadiazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 117 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/15/2016 1:18:34 PM |
Identificators
| InChI | InChI=1S/C17H16N2O2S/c1-20-14-7-9-15(10-8-14)22-12-11-16-18-19-17(21-16)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3 |
| InChI Key | KMLLHYSYPRQBKG-UHFFFAOYSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)SCCC2=NN=C(O2)C3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | 1,3,4-Oxadiazole, 2-{2-[(4-methoxyphenyl)thio]ethyl}-5-phenyl- |
In Other Databases
| ChEMBL | CHEMBL1334534 |
| PubChem | 2812945 |
| ChemSpider | 2091349 |