Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)N1C(SCC(=O)C2=CC=CC=C2)=NC2=C1C1=C(CCCC1)S2
InChIKey
InChIKey=UOCTUXLKWRHUOC-UHFFFAOYSA-N
Formula
C24H19BrN2O2S2
Mass
511.45
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
-
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
4-halobenzoic acids and derivatives Thienoimidazoles Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers N-acylimidazoles Carbonylimidazoles Bromobenzenes Aryl bromides Thiophenes Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Thienoimidazole - Aryl thioether - Benzoyl - Aryl alkyl ketone - Halobenzene - Imidazole-1-carbonyl group - N-acylimidazole - Bromobenzene - Alkylarylthioether - Aryl halide - Aryl bromide - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Thiophene - Imidazole - Azole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen 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