Compound Identification
SMILES
ClC1=CC=C(SC(=O)C2=NN=C(CO2)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=KYFDAWKJMGPGRL-UHFFFAOYSA-N
Formula
C16H10BrClN2O2S
Mass
409.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Thiophenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Thiophenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thiophenol esters
Alternative Parents
Aryl thioethers Bromobenzenes Chlorobenzenes 1,3,4-oxadiazines Aryl bromides Aryl chlorides Thioesters Carbothioic S-esters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organobromides Organonitrogen compounds Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiophenol ester - Aryl thioether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - 1,3,4-oxadiazine - Oxadiazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carbothioic s-ester - Thiocarboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophenol esters. These are thioester derivatives of thiophenols. Thiophenol is a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
External Descriptors
Not available