Compound Identification
SMILES
ClC1=CC=CC(Cl)=C1NC1=CC=CC=C1CC1=NN=C(O1)SCC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=UGGHNWXIXWFJJA-UHFFFAOYSA-N
Formula
C23H16BrCl2N3O2S
Mass
549.26
Taxonomic Classification
Taxonomy Tree
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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
Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes Alkylarylthioethers Bromobenzenes Primary aromatic amines Aryl bromides Aryl chlorides 1,3,4-oxadiazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Secondary amines Sulfenyl compounds Organobromides Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Aryl thioether - 1,3-dichlorobenzene - Aryl alkyl ketone - Aniline or substituted anilines - Bromobenzene - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Primary aromatic amine - Heteroaromatic compound - Azole - 1,3,4-oxadiazole - Oxadiazole - Oxacycle - Thioether - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Secondary amine - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - 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