Compound Identification
SMILES
ClC(Cl)=C(NC(=O)C1=CC=C(Cl)C=C1)SC1=NC=CC(OC(NC(=O)C2=CC=C(Cl)C=C2)C(Cl)(Cl)Cl)=N1
InChIKey
InChIKey=FERZZLIJDUENQR-UHFFFAOYSA-N
Formula
C22H13Cl7N4O3S
Mass
661.58
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
Benzamides Aryl thioethers Benzoyl derivatives Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Vinyl chlorides Sulfenyl compounds Azacyclic compounds Chloroalkenes Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Chloroalkene - Haloalkene - Organoheterocyclic compound - Sulfenyl compound - Vinyl chloride - Vinyl halide - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alkyl chloride - 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