Compound Identification
SMILES
CC(C)C1=CC=C(NC2=NN=C(SCC3=CC=C(Br)C=C3)N(CC=C)C2=O)C=C1
InChIKey
InChIKey=GXYMPDJTXZZJKT-UHFFFAOYSA-N
Formula
C22H23BrN4OS
Mass
471.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Aniline and substituted anilines Alkylarylthioethers Aminotriazines Bromobenzenes 1,2,4-triazines Imidolactams Aryl bromides Heteroaromatic compounds Lactams Sulfenyl compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cumene - Phenylpropane - Aryl thioether - Aniline or substituted anilines - Aminotriazine - Bromobenzene - Halobenzene - Alkylarylthioether - Imidolactam - Aryl bromide - Triazine - 1,2,4-triazine - Aryl halide - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Sulfenyl compound - Thioether - Secondary amine - Azacycle - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available