Compound Identification
SMILES
CCC1=CC=C(C=C1)C(=O)[C@H](C)SC1=NN=C(C)N1C1=CC=CC=C1C
InChIKey
InChIKey=TYZSIXQZYLCUFN-HNNXBMFYSA-N
Formula
C21H23N3OS
Mass
365.5
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
-
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
Phenyl-1,2,4-triazoles Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Toluenes Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - Phenylpropane - Benzoyl - Aryl thioether - Aryl alkyl ketone - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Azacycle - Thioether - Sulfenyl compound - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - 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