Compound Identification
SMILES
CSC1=CC=CC=C1C(=O)NCCSCC1=C(F)C=CC=C1Cl
InChIKey
InChIKey=IDCHILLQAJURTG-UHFFFAOYSA-N
Formula
C17H17ClFNOS2
Mass
369.9
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
Benzamides Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Chlorobenzenes Fluorobenzenes Vinylogous thioesters Aryl chlorides Aryl fluorides Secondary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous thioester - Carboxamide group - Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organochloride - Organofluoride - 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