Compound Identification
SMILES
CNC(=O)C1=CC=CC=C1S(=O)CC1=CC=C(Br)C=C1
InChIKey
InChIKey=BFRVTWIZTRUSBV-UHFFFAOYSA-N
Formula
C15H14BrNO2S
Mass
352.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzyl sulfoxides Phenyl sulfoxides Benzamides Benzoyl derivatives Bromobenzenes Aryl bromides Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzyl sulfoxide - O-sulfanylbenzoic acid or derivatives - Phenyl sulfoxide - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Sulfoxide - Secondary carboxylic acid amide - Carboxamide group - Sulfinyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available