Compound Identification
SMILES
ClC1=CC=CC=C1C1CC(=O)NC(SCC(=O)NCC2=CC=C(Br)C=C2)=C1C#N
InChIKey
InChIKey=SAMXRBLABZQVMN-UHFFFAOYSA-N
Formula
C21H17BrClN3O2S
Mass
490.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Chlorobenzenes
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Subclass
Halobenzenes
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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
Tetrahydropyridines Bromobenzenes Aryl chlorides Aryl bromides Secondary carboxylic acid amides Lactams Ketene acetals Sulfenyl compounds Nitriles Azacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Chlorobenzene - Tetrahydropyridine - Aryl bromide - Aryl chloride - Aryl halide - Hydropyridine - Carboxamide group - Ketene acetal or derivatives - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carbonitrile - Nitrile - Organic oxide - Organosulfur compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - 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