Compound Identification
SMILES
CC1=CC=C(OCC2=NN=C(SCC(=O)C3=CC=CC=C3)N2CC2=CC=CO2)C=C1
InChIKey
InChIKey=AJXDCTKVGCIIOE-UHFFFAOYSA-N
Formula
C23H21N3O3S
Mass
419.5
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
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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
Aryl alkyl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Toluenes Heteroaromatic compounds Furans Triazoles Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenoxy compound - Aryl thioether - Phenol ether - Benzoyl - Aryl alkyl ketone - Alkyl aryl ether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Furan - Azole - Heteroaromatic compound - 1,2,4-triazole - Thioether - Ether - Sulfenyl compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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