Compound Identification
SMILES
CCOC(=O)[C@@H]1[C@@H](C2=CC=CS2)C(C#N)=C(N[C@]1(C)O)SCC1=CC=C(Cl)C=C1
InChIKey
InChIKey=NYJQMNSVNRMIKW-LVCYWYKZSA-N
Formula
C21H21ClN2O3S2
Mass
448.98
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 Aryl chlorides Thiophenes Heteroaromatic compounds Ketene acetals Carboxylic acid esters Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Alkanolamines Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - Tetrahydropyridine - Aryl chloride - Aryl halide - Hydropyridine - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Ketene acetal or derivatives - Alkanolamine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Sulfenyl compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxide - 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