Compound Identification
SMILES
CCOCCCNC1=NN=C(SCC(=O)C2=CC(F)=CC=C2)S1
InChIKey
InChIKey=CIGSNPCXUIBMQD-UHFFFAOYSA-N
Formula
C15H18FN3O2S2
Mass
355.45
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
Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Alkylarylthioethers 2-amino-5-substituted-1,3,4-thiadiazoles Aryl fluorides Heteroaromatic compounds Sulfenyl compounds Dialkyl ethers Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Aryl thioether - Aryl alkyl ketone - Benzoyl - 2-amino-5-substituted-1,3,4-thiadiazole - Alkylarylthioether - Fluorobenzene - Halobenzene - 2-amino-1,3,4-thiadiazole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiadiazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Dialkyl ether - Ether - Thioether - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organosulfur compound - Organohalogen compound - Organofluoride - Organonitrogen 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