Compound Identification
SMILES
FC1=CC=C(C=C1)C1=CS\C(N1)=C(/C#N)C(=O)C1=CC=C(O1)C1=CC=CC=C1Cl
InChIKey
InChIKey=JJDMYVYZAQWMNN-CJLVFECKSA-N
Formula
C22H12ClFN2O2S
Mass
422.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
- Level 6 Aryl ketones
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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
Direct Parent
Aryl ketones
Alternative Parents
Chlorobenzenes Fluorobenzenes Vinylogous thioesters Aryl chlorides Aryl fluorides Vinylogous amides Thiazolines Thiazoles Acryloyl compounds Enones Heteroaromatic compounds Furans Thioenol ethers Ketene acetals Oxacyclic compounds Azacyclic compounds Enamines Nitriles Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl ketone - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Acryloyl-group - Furan - Vinylogous amide - Enone - Meta-thiazoline - Thiazole - Heteroaromatic compound - Ketene acetal or derivatives - Thioenolether - Oxacycle - Azacycle - Enamine - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Amine - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
External Descriptors
Not available