Compound Identification
SMILES
CC(=O)NC1=CC2=C(C=C1)N(CC=C)C(S2)=NC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=BQUKBMDZJPQWQR-UHFFFAOYSA-N
Formula
C19H16BrN3O2S
Mass
430.32
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
N-acetylarylamines Benzothiazoles Benzoyl derivatives Bromobenzenes Aryl bromides Thiazoles Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Isothioureas Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - N-acetylarylamine - 1,3-benzothiazole - Benzoyl - N-arylamide - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Acetamide - Azole - Thiazole - Heteroaromatic compound - Secondary carboxylic acid amide - Isothiourea - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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