Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)CSC1=C(C#N)C(C2=CC=CO2)C2=C(CCCC2=O)N1
InChIKey
InChIKey=IVQYMRAIZWGNPQ-UHFFFAOYSA-N
Formula
C22H17BrN2O3S
Mass
469.35
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
Aryl alkyl ketones Benzoyl derivatives Bromobenzenes Cyclohexenones Dihydropyridines Aryl bromides Vinylogous amides Furans Heteroaromatic compounds Ketene acetals Azacyclic compounds Sulfenyl compounds Dialkylamines Oxacyclic compounds Nitriles Organic oxides Organobromides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Cyclohexenone - Bromobenzene - Dihydropyridine - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Vinylogous amide - Ketene acetal or derivatives - Oxacycle - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Secondary amine - Carbonitrile - Nitrile - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic 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