Compound Identification
SMILES
CCOC(=O)C1(C#N)C(=O)CSC1=NC1=CC=CC=C1Cl
InChIKey
InChIKey=NIQUVYQDICZJFG-UHFFFAOYSA-N
Formula
C14H11ClN2O3S
Mass
322.76
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
-
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
Imidothiolactones Aryl chlorides Thiolanes Cyclic ketones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Nitriles Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - Aryl chloride - Aryl halide - Imidothiolactone - Thiolane - Carboxylic acid ester - Ketone - Cyclic ketone - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Carbonyl group - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - 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