Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)CN1C2=[N+](CCS2)C=C1C1=CC=CC=C1
InChIKey
InChIKey=XABKDZIKSWWFKX-UHFFFAOYSA-N
Formula
C19H16BrN2OS
Mass
400.31
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
Phenylimidazoles Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Alkylarylthioethers N-substituted imidazoles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 5-phenylimidazole - 4-phenylimidazole - Benzoyl - Aryl thioether - Aryl alkyl ketone - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Monocyclic benzene moiety - Aryl bromide - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Azacycle - Thioether - Organoheterocyclic compound - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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