Compound Identification
SMILES
CC1=NC2=C(C(NC(=O)C3=CC=CC=C3Cl)=C(S2)C(=O)NCC2=CC=C(Cl)C=C2)C(C)=C1
InChIKey
InChIKey=KPLGXQHDRPSAES-UHFFFAOYSA-N
Formula
C24H19Cl2N3O2S
Mass
484.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Pyridinecarboxamides Thienopyridines 2-heteroaryl carboxamides Benzoyl derivatives Thiophene carboxamides Methylpyridines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Vinylogous halides Vinylogous amides Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Pyridinecarboxamide - Thienopyridine - 2-heteroaryl carboxamide - Benzoyl - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Methylpyridine - Aryl halide - Aryl chloride - Pyridine - Vinylogous amide - Thiophene - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available