Compound Identification
SMILES
CC1=CC(=C(NC2=NN=C(CSC3=CC=C(Cl)C=C3)S2)C=C1)S(O)(=O)=O
InChIKey
InChIKey=LFAIDABUOLWUEQ-UHFFFAOYSA-N
Formula
C16H14ClN3O3S3
Mass
427.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Thiophenol ethers Aniline and substituted anilines Toluenes 2-amino-5-substituted-1,3,4-thiadiazoles Alkylarylthioethers Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Sulfenyl compounds Secondary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl thioether - Aniline or substituted anilines - Thiophenol ether - Chlorobenzene - Halobenzene - 2-amino-5-substituted-1,3,4-thiadiazole - Toluene - Alkylarylthioether - 2-amino-1,3,4-thiadiazole - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiadiazole - Secondary amine - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors
Not available