Compound Identification
SMILES
ClC1=CC=C(S1)C1=CC(Cl)=C(C=C1)C(=O)N1CC2=CC=CN2NC2=CC=CC=C12
InChIKey
InChIKey=GXOMVXSEDQVZMJ-UHFFFAOYSA-N
Formula
C22H15Cl2N3OS
Mass
440.34
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 Benzoyl derivatives Chlorobenzenes 2,5-disubstituted thiophenes Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - 2,5-disubstituted thiophene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - 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