Compound Identification
SMILES
ClC1=CC=CC=C1C1=CC=C(O1)C(=O)C(\C#N)=C1/NC(=CS1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=CLDLNXZJGQVJEN-CJLVFECKSA-N
Formula
C22H12BrClN2O2S
Mass
483.76
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
Bromobenzenes Chlorobenzenes Vinylogous thioesters Aryl bromides Aryl chlorides Vinylogous amides Acryloyl compounds Thiazolines Thiazoles Enones Furans Heteroaromatic compounds Thioenol ethers Ketene acetals Nitriles Enamines Azacyclic compounds Oxacyclic compounds Organic oxides Organobromides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl ketone - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Acryloyl-group - Heteroaromatic compound - Enone - Furan - Thiazole - Meta-thiazoline - Vinylogous amide - Thioenolether - Ketene acetal or derivatives - Organoheterocyclic compound - Oxacycle - Enamine - Azacycle - Carbonitrile - Nitrile - Organobromide - Hydrocarbon derivative - Amine - Organochloride - Organic nitrogen compound - Organic oxide - Organohalogen compound - Cyanide - Organonitrogen compound - 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