Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)CN1C(SC2=CC=CC=C2C1=O)=CC#N
InChIKey
InChIKey=RLKJIXWDIFRHRD-UHFFFAOYSA-N
Formula
C18H11ClN2O2S
Mass
354.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Benzothiazines Aryl alkyl ketones Benzoyl derivatives Aryl thioethers Chlorobenzenes Vinylogous thioesters 1,3-thiazines Aryl chlorides Tertiary carboxylic acid amides Lactams Ketene acetals Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzothiazine - Aryl thioether - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Meta-thiazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carbonitrile - Nitrile - Cyanide - Organochloride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available