Compound Identification
SMILES
CC(=O)C1=CC=C(NC(=O)CSC2=NN=C(O2)C2=CC3=CC=CC=C3C=C2)C=C1
InChIKey
InChIKey=JSESRXRJKAFMPZ-UHFFFAOYSA-N
Formula
C22H17N3O3S
Mass
403.46
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
Naphthalenes Acetophenones Anilides Aryl alkyl ketones Benzoyl derivatives N-arylamides Alkylarylthioethers 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Naphthalene - Anilide - Acetophenone - N-arylamide - Aryl alkyl ketone - Aryl thioether - Benzoyl - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - 1,3,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organopnictogen compound - Organic nitrogen compound - Aldehyde - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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