Compound Identification
SMILES
COC1=CC(=CNNC(=O)C2=NNC(=C2)C2=CC=CS2)C=C(Br)C1=O
InChIKey
InChIKey=WRGKHYZCOLZBIA-UHFFFAOYSA-N
Formula
C16H13BrN4O3S
Mass
421.27
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 P-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
P-quinomethanes
Alternative Parents
Pyrazole-5-carboxamides Thiophenes Heteroaromatic compounds Alpha-haloketones Carboxylic acid hydrazides Vinyl bromides Bromoalkenes Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-5-carboxamide - P-quinomethane - Alpha-haloketone - Azole - Heteroaromatic compound - Pyrazole - Thiophene - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Bromoalkene - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available