Compound Identification
SMILES
BrC1=CC=CC(=C1)C(=O)NN1C(=O)C2=C(C=CS2)N=C1SCC(=O)C1=CC=CC=C1
InChIKey
InChIKey=LRZLVZKQYDIJBA-UHFFFAOYSA-N
Formula
C21H14BrN3O3S2
Mass
500.39
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
3-halobenzoic acids and derivatives Thienopyrimidines Aryl alkyl ketones Benzoyl derivatives Pyrimidones Alkylarylthioethers Bromobenzenes Aryl bromides Thiophenes Heteroaromatic compounds Lactams Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Thienopyrimidine - Aryl thioether - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Benzenoid - Aryl bromide - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organosulfur compound - 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