Compound Identification
SMILES
CC1=C(C)C(NC2=NN=C(SCC(=O)C3=CC=C(Cl)C=C3)S2)=CC=C1
InChIKey
InChIKey=OHSXIGJEBQHBPT-UHFFFAOYSA-N
Formula
C18H16ClN3OS2
Mass
389.92
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
o-Xylenes Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Chlorobenzenes Alkylarylthioethers 2-amino-5-substituted-1,3,4-thiadiazoles Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Secondary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Aryl thioether - Aryl alkyl ketone - O-xylene - Xylene - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Alkylarylthioether - 2-amino-5-substituted-1,3,4-thiadiazole - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - 2-amino-1,3,4-thiadiazole - Thiadiazole - Azole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Secondary amine - Organic oxide - Organic nitrogen compound - Amine - 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