Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)C(\C#N)=C1\CSCCN1
InChIKey
InChIKey=UUGINXCVVSGBKN-QXMHVHEDSA-N
Formula
C13H11ClN2OS
Mass
278.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoyl derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoyl derivatives
Alternative Parents
Aryl ketones Chlorobenzenes Thiomorpholines Aryl chlorides Vinylogous amides Enones Acryloyl compounds Nitriles Enamines Dialkylthioethers Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,4-thiazinane - Acryloyl-group - Enone - Vinylogous amide - Ketone - Secondary aliphatic amine - Enamine - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carbonitrile - Nitrile - Thioether - Organic oxygen compound - Amine - Cyanide - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors
Not available