Compound Identification
SMILES
CCCC1=NN=C(SCC2=CC=C(Cl)C=C2)N1NC=C1C=C(Br)C=C(OC)C1=O
InChIKey
InChIKey=XVYRRYCVEMVFJC-UHFFFAOYSA-N
Formula
C20H20BrClN4O2S
Mass
495.82
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 O-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
O-quinomethanes
Alternative Parents
Chlorobenzenes Alkylarylthioethers Aryl chlorides Vinylogous amides Triazoles Heteroaromatic compounds Vinyl bromides Sulfenyl compounds Bromoalkenes Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - O-quinomethane - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - 1,2,4-triazole - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Thioether - Sulfenyl compound - Vinyl bromide - Vinyl halide - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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