Compound Identification
SMILES
O[C@@]1(CC(NN=C2SC=C(N12)C1=CC=C(Cl)C=C1)=C1C=CC=CC1=O)C(F)(F)F
InChIKey
InChIKey=SKXPONVLENITHL-SFHVURJKSA-N
Formula
C19H13ClF3N3O2S
Mass
439.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
-
Level 7
Quinomethanes
-
Level 6
Cyclic 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 - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
Chlorobenzenes Aryl chlorides Vinylogous amides Thiazolines Thiazoles Fluorohydrins Hydrazones Azacyclic compounds Alkanolamines Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-quinomethane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Meta-thiazoline - Thiazole - Vinylogous amide - Fluorohydrin - Halohydrin - Azacycle - Organoheterocyclic compound - Alkanolamine - Hydrazone - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available