Compound Identification
SMILES
NC1=CC=CC=C1SCC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=PJIVKTULDZBVAV-UHFFFAOYSA-N
Formula
C14H12BrNOS
Mass
322.22
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
Thiophenol ethers Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Bromobenzenes Alkylarylthioethers Aryl bromides Sulfenyl compounds Primary amines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Aryl thioether - Thiophenol ether - Aryl alkyl ketone - Aniline or substituted anilines - Bromobenzene - Halobenzene - Alkylarylthioether - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl bromide - Sulfenyl compound - Thioether - Organic oxide - Primary amine - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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