Compound Identification
SMILES
CC1=CC(C(=O)[C@]2(C[C@H]3C[C@H]3[C@@H]2CSC2=NC=C3NC=NC3=N2)N=N)=C(C=C1)N1N=CC=N1
InChIKey
InChIKey=JEARXJREMUELOZ-RUEUISIXSA-N
Formula
C22H21N9OS
Mass
459.53
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
-
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-1,2,3-triazoles Purines and purine derivatives Benzoyl derivatives Aryl alkyl ketones Toluenes Alkylarylthioethers Pyrimidines and pyrimidine derivatives Imidazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,3-triazole - Purine - Imidazopyrimidine - Aryl thioether - Aryl alkyl ketone - Benzoyl - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Pyrimidine - Benzenoid - 1,2,3-triazole - Triazole - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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