Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)CSC1=NC2=C(SC(=C2)C2=CC=C(Cl)C=C2)C(=O)N1N
InChIKey
InChIKey=MLLGPPSNVHNNMH-UHFFFAOYSA-N
Formula
C21H16ClN3O3S2
Mass
457.95
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
Thienopyrimidines Phenoxy compounds 2,3,5-trisubstituted thiophenes Methoxybenzenes Anisoles Benzoyl derivatives Aryl alkyl ketones Pyrimidones Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Thienopyrimidine - Anisole - Benzoyl - Phenol ether - 2,3,5-trisubstituted thiophene - Aryl alkyl ketone - Methoxybenzene - Phenoxy compound - Aryl thioether - Alkylarylthioether - Chlorobenzene - Alkyl aryl ether - Pyrimidone - Halobenzene - Aryl halide - Benzenoid - Aryl chloride - Pyrimidine - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Lactam - Sulfenyl compound - Thioether - Azacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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