Compound Identification
SMILES
ClC1=CC(Cl)=C(C=NNC(=O)C2=CC=CC=C2SSC2=CC=CC=C2C(=O)NN=CC2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=SUXMNCJNEVPTAT-UHFFFAOYSA-N
Formula
C28H18Cl4N4O2S2
Mass
648.4
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
Dichlorobenzenes Benzoyl derivatives Aryl chlorides Organic disulfides Sulfenyl compounds Carboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic disulfide - Carboxylic acid derivative - Sulfenyl compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - 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