Compound Identification
SMILES
CC1=C(NC=C(C#N)C2=NC(=CS2)C2=CC=C(Cl)C=C2)C=CC=C1Cl
InChIKey
InChIKey=FKBVRBYQPUGOJT-UHFFFAOYSA-N
Formula
C19H13Cl2N3S
Mass
386.29
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
-
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 2,4-disubstituted thiazoles Aryl chlorides Heteroaromatic compounds Nitriles Enamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminotoluene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Nitrile - Carbonitrile - Azacycle - Enamine - Organoheterocyclic compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - 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