Compound Identification
SMILES
OCCOCCN1C(SCC1=O)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=YPZZFTZTJSHRKG-UHFFFAOYSA-N
Formula
C14H16N2O3S
Mass
292.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Thiazolidines Tertiary carboxylic acid amides Lactams Nitriles Dialkylthioethers Dialkyl ethers Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Thioether - Dialkylthioether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxide - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Cyanide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available