Compound Identification
SMILES
FC(F)OC1=CC(OC(F)F)=C(C=C1)C(=O)CSC1=NN=C2C=CC=CN12
InChIKey
InChIKey=WXXPUOPHPJXYTC-UHFFFAOYSA-N
Formula
C16H11F4N3O3S
Mass
401.34
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
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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
Triazolopyridines Aryl alkyl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds Alkylarylthioethers Pyridines and derivatives Heteroaromatic compounds Triazoles Azacyclic compounds Sulfenyl compounds Alkyl fluorides Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Triazolopyridine - Phenoxy compound - Aryl thioether - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Thioether - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl fluoride - Aromatic heteropolycyclic 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