Compound Identification
SMILES
NC1=C(C#N)\C(=C2/C=CC(=O)C(Cl)=C2)C(C#N)=C(N1)SC1=CC=CC=C1F
InChIKey
InChIKey=DNHRSOJXRKLMCQ-YVLHZVERSA-N
Formula
C19H10ClFN4OS
Mass
396.82
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 P-quinomethanes
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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
P-quinomethanes
Alternative Parents
Aryl thioethers Fluorobenzenes Dihydropyridines Aryl fluorides Alpha-chloroketones Ketene acetals Vinyl chlorides Sulfenyl compounds Nitriles Azacyclic compounds Chloroalkenes Hydrocarbon derivatives Organic oxides Organochlorides Amines Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - P-quinomethane - Dihydropyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Ketene acetal or derivatives - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Carbonitrile - Nitrile - Sulfenyl compound - Vinyl chloride - Vinyl halide - Organic oxide - Cyanide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organosulfur compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available