Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=O)CSC2=C(C#N)C(=CC(=N2)C2=CC=C(C)C=C2)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=GTLDNXPDIRUDKS-UHFFFAOYSA-N
Formula
C29H22ClN3O2S
Mass
512.02
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
Phenylpyridines Acetophenones Anilides 3-pyridinecarbonitriles Aryl alkyl ketones N-arylamides Benzoyl derivatives Toluenes Alkylarylthioethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Nitriles Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 2-phenylpyridine - 4-phenylpyridine - Acetophenone - Anilide - Aryl thioether - Benzoyl - N-arylamide - Aryl alkyl ketone - 3-pyridinecarbonitrile - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Thioether - Azacycle - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - 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