Compound Identification
SMILES
CC(=O)NC1=NN=C(SCC(=O)C2=CC=C(Cl)C=C2)S1
InChIKey
InChIKey=LDCSWGXRAWUMQC-UHFFFAOYSA-N
Formula
C12H10ClN3O2S2
Mass
327.8
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-acetylarylamines Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Chlorobenzenes Aryl chlorides Thiadiazoles Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - N-acetylarylamine - N-arylamide - Aryl alkyl ketone - Benzoyl - Aryl thioether - Halobenzene - Alkylarylthioether - Chlorobenzene - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Heteroaromatic compound - Acetamide - Thiadiazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur 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