Compound Identification
SMILES
C[C@@H](SC1=NN=C(NC2=CC(Br)=CC=C2)S1)C(=O)NC1=CC=CC(=C1)C(C)=O
InChIKey
InChIKey=MPUHHRVGMBXKMR-GFCCVEGCSA-N
Formula
C19H17BrN4O2S2
Mass
477.4
Taxonomic Classification
Taxonomy Tree
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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 Anilides Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives N-arylamides Bromobenzenes Alkylarylthioethers 2-amino-5-substituted-1,3,4-thiadiazoles Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Sulfenyl compounds Secondary amines Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Anilide - Benzoyl - N-arylamide - Aryl alkyl ketone - Aniline or substituted anilines - Aryl thioether - 2-amino-5-substituted-1,3,4-thiadiazole - Alkylarylthioether - Bromobenzene - Halobenzene - 2-amino-1,3,4-thiadiazole - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiadiazole - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Secondary amine - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Amine - Organobromide - Organohalogen compound - 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