Compound Identification
SMILES
O[Cl](=O)(=O)=O.BrC1=CC=C(C=C1)C(=O)CSC1=NC=CN1
InChIKey
InChIKey=GMSKWVIUNWXWIY-UHFFFAOYSA-N
Formula
C11H10BrClN2O5S
Mass
397.62
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
Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Alkylarylthioethers Organic perchlorates Aryl bromides Imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Aryl thioether - Benzoyl - Aryl alkyl ketone - Alkylarylthioether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic perchlorate - Azole - Heteroaromatic compound - Imidazole - Organic chlorate - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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