Compound Identification
SMILES
C[C@]1(O)N=C([S-])[C@@H](C#N)[C@H]([C@H]1[N+]1=CC=CC=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=XCZGNYQTQOYPAF-BVIKNXMNSA-N
Formula
C18H16ClN3OS
Mass
357.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- 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
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Tetrahydropyridines Pyridinium derivatives Aryl chlorides Heteroaromatic compounds Cyclic imidothioic acids Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Alkanolamines Organosulfur compounds Organooxygen compounds Organochlorides Organic zwitterions Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - Tetrahydropyridine - Aryl chloride - Aryl halide - Hydropyridine - Pyridine - Pyridinium - Heteroaromatic compound - Cyclic imidothioic acid - Alkanolamine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Cyanide - Organic salt - Organic zwitterion - Hydrocarbon derivative - Aromatic heteromonocyclic 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