Compound Identification
SMILES
BrC1=CC(=CNC2=NC(=CS2)C2=CC=CC=C2)C(=O)C=C1
InChIKey
InChIKey=BXPYZROMCNIXLI-UHFFFAOYSA-N
Formula
C16H11BrN2OS
Mass
359.24
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
2,4-disubstituted thiazoles Benzene and substituted derivatives 2-amino-1,3-thiazoles Vinylogous amides Heteroaromatic compounds Vinyl bromides Enamines Bromoalkenes Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Vinylogous amide - Thiazole - Azole - Bromoalkene - Haloalkene - Organoheterocyclic compound - Azacycle - Vinyl halide - Vinyl bromide - Enamine - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organobromide - Organic nitrogen compound - Organonitrogen compound - Amine - 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