Compound Identification
SMILES
CC1=C(NC=C(C#N)C2=NC(=CS2)C2=CC=C(Br)C=C2)C=CC=C1Cl
InChIKey
InChIKey=ISJHXAXZKNLMBX-UHFFFAOYSA-N
Formula
C19H13BrClN3S
Mass
430.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Aniline and substituted anilines Chlorobenzenes Bromobenzenes 2,4-disubstituted thiazoles Aryl chlorides Aryl bromides Heteroaromatic compounds Nitriles Enamines Azacyclic compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminotoluene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Nitrile - Carbonitrile - Enamine - Organoheterocyclic compound - Azacycle - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organobromide - Organochloride - Organonitrogen compound - 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