Compound Identification
SMILES
BrC1=CC(=CNNC2=NC(=O)CS2)C(=O)C(Br)=C1
InChIKey
InChIKey=UFVIGABWTSPXQI-UHFFFAOYSA-N
Formula
C10H7Br2N3O2S
Mass
393.05
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
Vinylogous amides Thiazolines Alpha-haloketones N-acylimines Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Bromoalkenes Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-quinomethane - Alpha-haloketone - Meta-thiazoline - Vinylogous amide - N-acylimine - Carboxylic acid derivative - Vinyl bromide - Vinyl halide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Bromoalkene - Haloalkene - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Aliphatic 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