Compound Identification
SMILES
CC1=CC=C(C=C1)C1N(CCC2=C1C=CS2)C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=JDIFYFVKUJXLDG-UHFFFAOYSA-N
Formula
C21H18BrNOS
Mass
412.35
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
Thienopyridines Benzamides Benzoyl derivatives Toluenes Bromobenzenes Aryl bromides Pyridines and derivatives Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Thienopyridine - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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