Compound Identification
SMILES
NC1=C(SC2=C1C1=C(S2)C(O)=CC(=O)N1)C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=HEJCTQJMKQYZSI-UHFFFAOYSA-N
Formula
C16H9BrN2O3S2
Mass
421.28
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 Aryl-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
Aryl-phenylketones
Alternative Parents
Benzoyl derivatives Thienothiophenes Thiophene carboxylic acids and derivatives Bromobenzenes Hydroxypyridines Pyridinones Aryl bromides Aminothiophenes Heteroaromatic compounds Vinylogous amides Vinylogous acids Lactams Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - Benzoyl - Thiophene carboxylic acid or derivatives - Thienothiophene - Bromobenzene - Halobenzene - Pyridinone - Hydroxypyridine - Benzenoid - Aryl bromide - Pyridine - Aryl halide - Monocyclic benzene moiety - Aminothiophene - Vinylogous amide - Vinylogous acid - Thiophene - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Azacycle - Organic oxide - Organohalogen compound - Amine - Organic nitrogen compound - Organobromide - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available