3-(1H-Imidazol-4-yl)-2-(2-thienylsulfonyl)acrylonitrile
6766
Reference
3-(1H-Imidazol-4-yl)-2-(2-thienylsulfonyl)acrylonitrile Structure
Systematic / IUPAC Name: (2E)-3-(1H-Imidazol-5-yl)-2-(2-thienylsulfonyl)acrylonitrile
ID: Reference6766
Other Names: 2-Propenenitrile, 3-(1H-imidazol-5-yl)-2-(2-thienylsulfonyl)-, (2E)-
Formula: C10H7N3O2S2
Spectral Data
3-(1H-Imidazol-4-yl)-2-(2-thienylsulfonyl)acrylonitrile 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 | 2 |
| No. of Spectra | 275 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 8/28/2017 9:54:38 AM |
Identificators
| InChI | InChI=1S/C10H7N3O2S2/c11-5-9(4-8-6-12-7-13-8)17(14,15)10-2-1-3-16-10/h1-4,6-7H,(H,12,13)/b9-4+ |
| InChI Key | JDBOKVVEGHKETB-RUDMXATFSA-N |
| Canonical SMILES | C1=CSC(=C1)S(=O)(=O)C(=CC2=CN=CN2)C#N |
| CAS | |
| Splash | |
| Other Names | 2-Propenenitrile, 3-(1H-imidazol-5-yl)-2-(2-thienylsulfonyl)-, (2E)- |
In Other Databases
| ChEMBL | CHEMBL3318348 |
| ChemSpider | 4653029 |
| PubChem | 5716014 |