Compound Identification
SMILES
CCC1=CC=C(C=C1)C1=CSC(=N1)C(=CNC1=C(Br)C=C(C)C=C1)C#N
InChIKey
InChIKey=WGCHANABYWYHAN-UHFFFAOYSA-N
Formula
C21H18BrN3S
Mass
424.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Aminotoluenes
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Subclass
Toluenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Aminotoluenes
Alternative Parents
2-bromoanilines Bromobenzenes 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Nitriles Enamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-bromoaniline - Aniline or substituted anilines - Aminotoluene - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Enamine - Carbonitrile - Nitrile - Hydrocarbon derivative - Amine - Organonitrogen compound - Cyanide - Organic nitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
External Descriptors
Not available