Compound Identification
SMILES
CCN1C2=CC=CC=C2C2=C1N=C(SCC(=O)NC1=CC=CC=C1C(C)=O)N=N2
InChIKey
InChIKey=RUSRHMBZUZQIQM-UHFFFAOYSA-N
Formula
C21H19N5O2S
Mass
405.48
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
-
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
N-alkylindoles Indoles Acetophenones Anilides N-arylamides Benzoyl derivatives Aryl alkyl ketones Alkylarylthioethers Substituted pyrroles 1,2,4-triazines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-alkylindole - Acetophenone - Indole or derivatives - Indole - Anilide - Aryl thioether - N-arylamide - Aryl alkyl ketone - Benzoyl - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Triazine - 1,2,4-triazine - Vinylogous amide - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen 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