Compound Identification
SMILES
ClC1=CC=C(C=C1)N1C(COC2=CC=CC3=C2N=CC=C3)=NN=C1SCC(=O)C1=CC=CC=C1
InChIKey
InChIKey=MXKKOAJAKBWXIY-UHFFFAOYSA-N
Formula
C26H19ClN4O2S
Mass
486.97
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
Phenyl-1,2,4-triazoles Quinolines and derivatives Phenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - Quinoline - Aryl thioether - Benzoyl - Phenol ether - Aryl alkyl ketone - Chlorobenzene - Alkyl aryl ether - Halobenzene - Alkylarylthioether - Aryl halide - Pyridine - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Triazole - 1,2,4-triazole - Azole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - 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