Compound Identification
SMILES
CN(C)C1=CC=[NH+]C=C1.[O-]\C(=C(/C#N)C1=NS(=O)(=O)C2=C(S1)C=C(Cl)C(=C2)C(=O)NC1C=CCC2=NSN=C12)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=JKERCVHQZMEEDL-UNLLECTCSA-N
Formula
C30H23Cl2N7O4S3
Mass
712.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Aryl thioethers Dialkylarylamines Aminopyridines and derivatives Chlorobenzenes Aryl chlorides Pyridinium derivatives Vinylogous halides Thiadiazoles Organosulfonic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Nitriles Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic zwitterions Organochlorides
Molecular Framework
Not available
Substituents
2-halobenzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aryl thioether - Chlorobenzene - Halobenzene - Aminopyridine - Pyridine - Pyridinium - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - Organosulfonic acid or derivatives - Vinylogous halide - Thiadiazole - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxide - Cyanide - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available