Compound Identification
SMILES
CNC(=O)C1=CC=CC=C1S(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=PEONZRSTRIJABL-UHFFFAOYSA-N
Formula
C14H12ClNO2S
Mass
293.77
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
Phenyl sulfoxides Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Phenyl sulfoxide - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - Sulfoxide - Secondary carboxylic acid amide - Sulfinyl compound - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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