Compound Identification
SMILES
CCC1=CC=C(C=C1)C1=CSC(=N1)C(=CNC1=C(Cl)C=CC(Cl)=C1)C#N
InChIKey
InChIKey=MHJXKSRGJOCCJX-UHFFFAOYSA-N
Formula
C20H15Cl2N3S
Mass
400.32
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
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Level 5
Chlorobenzenes
- Level 6 Dichlorobenzenes
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Level 5
Chlorobenzenes
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Subclass
Halobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Chlorobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Aniline and substituted anilines 2,4-disubstituted thiazoles Aryl chlorides Heteroaromatic compounds Nitriles Enamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,4-dichlorobenzene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Nitrile - Carbonitrile - Enamine - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors
Not available