Compound Identification
SMILES
CCC(=O)NC1=CC=CC(=C1)C1=C(SC(N=NC2=C(NC3=CC=C(Cl)C=C3)N=C(NC3=CC(=C(Cl)C=C3)S(O)(=O)=O)C(C#N)=C2C)=C1C#N)N=NC1=CC=CC=C1C#N
InChIKey
InChIKey=QDICIMGFSMTHQA-UHFFFAOYSA-N
Formula
C40H27Cl2N11O4S2
Mass
860.75
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 Anilides Benzenesulfonyl compounds 3-pyridinecarbonitriles Aniline and substituted anilines Benzonitriles N-arylamides Aminopyridines and derivatives Methylpyridines Chlorobenzenes Aryl chlorides Imidolactams Thiophenes Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Organic oxides Organochlorides Amines Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Anilide - Benzonitrile - N-arylamide - Aniline or substituted anilines - 3-pyridinecarbonitrile - Aminopyridine - Chlorobenzene - Halobenzene - Methylpyridine - Imidolactam - Aryl halide - Pyridine - Aryl chloride - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azo compound - Carbonitrile - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Nitrile - Carboxylic acid derivative - Organic 1,3-dipolar compound - Azacycle - Organic oxide - Amine - Organohalogen compound - Organochloride - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Cyanide - 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