Compound Identification
SMILES
CC(C)(SC1=CC=CC=C1C#N)C1OCC(C\C=C/CCC(O)=O)C(O1)C1=CN=CC=C1
InChIKey
InChIKey=YPCAROPSCQCKPX-ARJAWSKDSA-N
Formula
C25H28N2O4S
Mass
452.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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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
Thiophenol ethers Medium-chain fatty acids Alkylarylthioethers Heterocyclic fatty acids Unsaturated fatty acids Pyridines and derivatives 1,3-dioxanes Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Acetals Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Benzonitrile - Thiophenol ether - Medium-chain fatty acid - Heterocyclic fatty acid - Alkylarylthioether - Meta-dioxane - Pyridine - Unsaturated fatty acid - Fatty acyl - Fatty acid - Heteroaromatic compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Thioether - Oxacycle - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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