Compound Identification
SMILES
CC1=CC=C(C=C1)N1C(SCC(=O)C2=CC(Cl)=C(Cl)C=C2)=NN=C1C1=CC=CO1
InChIKey
InChIKey=YXFULTSBYQNVQT-UHFFFAOYSA-N
Formula
C21H15Cl2N3O2S
Mass
444.33
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
Phenyl-1,2,4-triazoles Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes Toluenes Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Furans Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyl-1,2,4-triazole - Phenyltriazole - Aryl thioether - Benzoyl - 1,2-dichlorobenzene - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Furan - Triazole - 1,2,4-triazole - Azacycle - Oxacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aldehyde - Aromatic heteromonocyclic 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