Compound Identification
SMILES
FC1=C(CSC2=NC3=C(SC=C3)C(=O)N2NC(=O)C2=CC(Br)=CC=C2)C(Cl)=CC=C1
InChIKey
InChIKey=HBRJRZQLKBGKAY-UHFFFAOYSA-N
Formula
C20H12BrClFN3O2S2
Mass
524.81
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
3-halobenzoic acids and derivatives
Alternative Parents
Thienopyrimidines Benzoyl derivatives Pyrimidones Alkylarylthioethers Bromobenzenes Fluorobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Aryl fluorides Thiophenes Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Thienopyrimidine - Aryl thioether - Benzoyl - Halobenzene - Pyrimidone - Fluorobenzene - Chlorobenzene - Alkylarylthioether - Bromobenzene - Aryl chloride - Aryl bromide - Pyrimidine - Aryl fluoride - Aryl halide - Thiophene - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available