Compound Identification
SMILES
COC1=CC(=O)\C(C=C1)=C(\C)NNC(=O)CSC1=C(C)C=C(Br)C(C)=C1
InChIKey
InChIKey=HQXAGGHYZPQIDK-SQFISAMPSA-N
Formula
C19H21BrN2O3S
Mass
437.35
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
p-Xylenes Thiophenol ethers Bromobenzenes Alkylarylthioethers Aryl bromides Vinylogous esters Vinylogous amides Carboxylic acid hydrazides Sulfenyl compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl thioether - P-xylene - Xylene - Thiophenol ether - O-quinomethane - Alkylarylthioether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Vinylogous amide - Carboxylic acid hydrazide - Thioether - Carboxylic acid derivative - Sulfenyl compound - Organobromide - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic 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