Compound Identification
SMILES
NC1=C(C#N)C2=CCSCC2C(C2=CC=C(Cl)C=C2)C1(C#N)C#N
InChIKey
InChIKey=ZCLBAIXFQUCONY-UHFFFAOYSA-N
Formula
C18H13ClN4S
Mass
352.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Chlorobenzenes
-
Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Thiopyrans Aryl chlorides Nitriles Enamines Dialkylthioethers Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorobenzene - Aryl chloride - Aryl halide - Thiopyran - Enamine - Carbonitrile - Nitrile - Thioether - Organoheterocyclic compound - Dialkylthioether - Organohalogen compound - Organic nitrogen compound - Primary aliphatic amine - Organochloride - Organonitrogen compound - Primary amine - Cyanide - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
Not available