Compound Identification
SMILES
BrC1=CC=C(S1)C(=O)OC1=CC=C(C=C(C#N)C2=NC3=CC=CC=C3S2)C=C1
InChIKey
InChIKey=BCRQKHAIWHFQCP-UHFFFAOYSA-N
Formula
C21H11BrN2O2S2
Mass
467.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol esters
Alternative Parents
Benzothiazoles Thiophene carboxylic acids and derivatives Phenoxy compounds 2,5-disubstituted thiophenes Aryl bromides Thiazoles Heteroaromatic compounds Carboxylic acid esters Nitriles Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - 1,3-benzothiazole - Phenoxy compound - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Azole - Thiazole - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors
Not available