5-(2-Cyanoethyl)-2-mercapto-4,6-dimethylnicotinonitrile

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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

Spectral Data

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.

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Available MS Data

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
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Identificators

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
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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-

In Other Databases

ChEMBL CHEMBL1465837
ChemSpider 2008183
PubChem 2726113