Compound Identification
SMILES
CC1=CC=CC=C1CC1SC(N(C1=O)C1=CC=C(Cl)C=C1)=C(C#N)C(N)=O
InChIKey
InChIKey=DMJZOKDNRFSWKS-UHFFFAOYSA-N
Formula
C20H16ClN3O2S
Mass
397.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Chlorobenzenes
-
Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Toluenes Vinylogous thioesters Aryl chlorides Vinylogous amides Thiazolidines Tertiary carboxylic acid amides Primary carboxylic acid amides Lactams Ketene acetals Nitriles Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - Toluene - Aryl chloride - Aryl halide - Vinylogous thioester - Tertiary carboxylic acid amide - Thiazolidine - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Lactam - Primary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
Not available