Compound Identification
SMILES
CC1=CC(C)=NC(SCC2=CC=C(C=C2)C(=O)NN=CC2=CC=CC=C2Br)=N1
InChIKey
InChIKey=APKKFWPYFIHGFU-UHFFFAOYSA-N
Formula
C21H19BrN4OS
Mass
455.37
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
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Bromobenzenes Alkylarylthioethers Pyrimidines and pyrimidine derivatives Aryl bromides Heteroaromatic compounds Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Aryl thioether - Benzoyl - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available