Systematic / IUPAC Name: 5-(2-Cyanoethyl)-4,6-dimethyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile
ID: Reference4243
Other Names:
5-(2-Cyanoethyl)-4,6-dimethyl-2-thioxo-1H-pyridine-3-carbonitrile;
3-Pyridinepropanenitrile, 5-cyano-1,6-dihydro-2,4-dimethyl-6-thioxo-
Formula: C11H11N3S
5-(2-Cyanoethyl)-2-mercapto-4,6-dimethylnicotinonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 2 |
No. of Spectra | 236 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 3/16/2016 11:54:53 AM |
InChI | InChI=1S/C11H11N3S/c1-7-9(4-3-5-12)8(2)14-11(15)10(7)6-13/h3-4H2,1-2H3,(H,14,15) |
InChI Key | BVAKKXVQFBBQNU-UHFFFAOYSA-N |
Canonical SMILES | CC1=C(C(=S)NC(=C1CCC#N)C)C#N |
CAS | |
Splash | |
Other Names |
5-(2-Cyanoethyl)-4,6-dimethyl-2-thioxo-1H-pyridine-3-carbonitrile; 3-Pyridinepropanenitrile, 5-cyano-1,6-dihydro-2,4-dimethyl-6-thioxo- |
ChEMBL | CHEMBL1465837 |
ChemSpider | 2008183 |
PubChem | 2726113 |