Compound Identification
SMILES
CC(=O)C1=CC(NC=C(C#N)C2=NC(=CS2)C2=CC=C(Br)C=C2)=CC=C1
InChIKey
InChIKey=DNTLUJPYYBCAEN-UHFFFAOYSA-N
Formula
C20H14BrN3OS
Mass
424.32
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
Acetophenones Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Bromobenzenes 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Nitriles Enamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Enamine - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Cyanide - Organic nitrogen 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