Compound Identification
SMILES
FC(F)(F)C(=O)C1=CC=C(S1)C1=NC(=NO1)C1=CN=CC=C1
InChIKey
InChIKey=OQXFPVADHVSUEH-UHFFFAOYSA-N
Formula
C13H6F3N3O2S
Mass
325.27
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 Aryl alkyl ketones
-
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
Direct Parent
Aryl alkyl ketones
Alternative Parents
2,5-disubstituted thiophenes Pyridines and derivatives Heteroaromatic compounds Alpha-haloketones 1,2,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - 2,5-disubstituted thiophene - Pyridine - Alpha-haloketone - 1,2,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Thiophene - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available