Compound Identification
SMILES
COC1=NC2=C(NC(SC(CC(O)=O)C(=O)C3=CC=C(Cl)C=C3)=N2)C2=CC=CC=C12
InChIKey
InChIKey=FIMCGCGPBJCJMH-UHFFFAOYSA-N
Formula
C21H16ClN3O4S
Mass
441.89
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
Butyrophenones Isoquinolines and derivatives Imidazopyridines Benzoyl derivatives Gamma-keto acids and derivatives Aryl alkyl ketones Thia fatty acids Chlorobenzenes Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Imidazoles Azacyclic compounds Sulfenyl compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Isoquinoline - Imidazopyridine - Aryl thioether - Gamma-keto acid - Aryl alkyl ketone - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Thia fatty acid - Alkylarylthioether - Aryl chloride - Keto acid - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyridine - Fatty acyl - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organosulfur compound - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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