Compound Identification
SMILES
CCC1=CC=C(C=C1)C(=O)C(C)SC1=NN=C(NC2=CC=CC=C2C)S1
InChIKey
InChIKey=RBDNPSQNBXXDIF-UHFFFAOYSA-N
Formula
C20H21N3OS2
Mass
383.53
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
Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Toluenes Alkylarylthioethers 2-amino-5-substituted-1,3,4-thiadiazoles Heteroaromatic compounds Sulfenyl compounds Secondary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Aryl thioether - Benzoyl - Aniline or substituted anilines - Aryl alkyl ketone - 2-amino-5-substituted-1,3,4-thiadiazole - Alkylarylthioether - Toluene - 2-amino-1,3,4-thiadiazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Azacycle - Organoheterocyclic compound - Secondary amine - Sulfenyl compound - Thioether - Organonitrogen compound - Amine - Organosulfur compound - Organic nitrogen compound - 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