Compound Identification
SMILES
BrC1=C(C=CC(=C1)C(=O)CSC1=CC=NC2=CC=CC=C12)N1CCOCC1
InChIKey
InChIKey=QQNLDEWGSOZQJR-UHFFFAOYSA-N
Formula
C21H19BrN2O2S
Mass
443.36
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
Phenylmorpholines Quinolines and derivatives 2-bromoanilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Alkylarylthioethers Bromobenzenes Pyridines and derivatives Aryl bromides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenylmorpholine - Quinoline - Benzoyl - Aryl thioether - Tertiary aliphatic/aromatic amine - 2-bromoaniline - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Alkylarylthioether - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Morpholine - Aryl bromide - Oxazinane - Pyridine - Heteroaromatic compound - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Sulfenyl compound - Thioether - Organopnictogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organosulfur compound - Organic nitrogen 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