Compound Identification
SMILES
CCN1C(SCC2=CC=C(Cl)C=C2)=NN=C1C(NC(=O)C1=C(Cl)C=C(Cl)C=C1)C(C)C
InChIKey
InChIKey=WVQODUOOUZOIFD-UHFFFAOYSA-N
Formula
C22H23Cl3N4OS
Mass
497.86
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
4-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Dichlorobenzenes Benzoyl derivatives Alkylarylthioethers Aryl chlorides Vinylogous halides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available