Compound Identification
SMILES
CC(=O)C1=C(O)S\C(=C/C2=CC=C(C=C2)C#N)C1=O
InChIKey
InChIKey=KNXQDBLTIYINIQ-WDZFZDKYSA-N
Formula
C14H9NO3S
Mass
271.29
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
Vinylogous thioesters Vinylogous acids Dihydrothiophenes Thioenol ethers Ketene acetals Cyclic ketones Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Vinylogous thioester - 2,3-dihydrothiophene - Vinylogous acid - Ketene acetal or derivatives - Ketone - Thioenolether - Cyclic ketone - Nitrile - Carbonitrile - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - 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