Compound Identification
SMILES
CC1=CC=C(NC2=NC(=CS2)C(=O)OCC(=O)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=OCTUDGWSLWHXDH-UHFFFAOYSA-N
Formula
C19H15BrN2O3S
Mass
431.3
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
Aniline and substituted anilines Thiazolecarboxylic acids and derivatives Aryl alkyl ketones Benzoyl derivatives 2,4-disubstituted thiazoles Toluenes Bromobenzenes Aryl bromides 2-amino-1,3-thiazoles Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Secondary amines Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Thiazolecarboxylic acid or derivatives - Aniline or substituted anilines - Aryl alkyl ketone - 2,4-disubstituted 1,3-thiazole - Halobenzene - Bromobenzene - Toluene - Aryl bromide - Monocyclic benzene moiety - Aryl halide - 1,3-thiazol-2-amine - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen 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