Compound Identification
SMILES
COCCN1C(SCC(=O)C2=CC=CC=C2)=NNC1=C1C=NC2=CC=CC=C12
InChIKey
InChIKey=ZFZJQZZJZKDLBY-UHFFFAOYSA-N
Formula
C21H20N4O2S
Mass
392.48
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
Indoles and derivatives Benzoyl derivatives Aryl alkyl ketones Triazolines Ketene acetals Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Hydrazones Dialkyl ethers Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indole or derivatives - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Triazoline - Ketene acetal or derivatives - Dialkyl ether - Ether - Hydrazone - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Imine - 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