Compound Identification
SMILES
Br.COC1=CC=C(C=C1)C(=O)CSC1=NC(=CN=C1C1=CC=CC=C1Cl)C1=CC=CC=C1
InChIKey
InChIKey=UKIFALRQUBHOCS-UHFFFAOYSA-N
Formula
C25H20BrClN2O2S
Mass
527.86
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
Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Pyrazines Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Hydrobromides Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenol ether - Aryl alkyl ketone - Benzoyl - Methoxybenzene - Anisole - Aryl thioether - Phenoxy compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Pyrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Ether - Thioether - Hydrocarbon derivative - Organic oxide - Hydrobromide - Organic nitrogen compound - Organohalogen compound - Organochloride - 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