Compound Identification
SMILES
OC1=C(O)C=C(C=C1)C(=O)CSC1=NNC(C2=CC=NC=C2)=[N+]1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=GYOZYDWOHLTBHR-UHFFFAOYSA-O
Formula
C21H16ClN4O3S
Mass
439.89
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
Pyridyl-1,2,4-triazoles Phenyl-1,2,4-triazoles Aryl alkyl ketones Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkylarylthioethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - Pyridyltriazole - Pyridyl-1,2,4-triazole - Benzoyl - Aryl alkyl ketone - Catechol - Aryl thioether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Halobenzene - Phenol - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Pyridine - Aryl halide - 1,2,4-triazole - Triazole - Heteroaromatic compound - Azole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic cation - 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