Compound Identification
SMILES
CN1C(=S)N(C=C(C(=O)C(Br)Br)C1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=WUEPNNQFKGOYER-UHFFFAOYSA-N
Formula
C13H9Br2ClN2O2S
Mass
452.55
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 Aryl alkyl ketones
-
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
Direct Parent
Aryl alkyl ketones
Alternative Parents
Pyrimidones Pyrimidinethiones Chlorobenzenes Aryl chlorides Hydropyrimidines Vinylogous amides Alpha-haloketones Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Hydrocarbon derivatives Organobromides Organochlorides Organonitrogen compounds Organic oxides Alkyl bromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - Chlorobenzene - Halobenzene - Pyrimidinethione - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Alpha-haloketone - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alkyl bromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available