Compound Identification
SMILES
CC1=CC(NC2=C(C#N)C(N)=C(S2)C(=O)C2=CC3=C(O2)C=CC(Cl)=C3)=CC=C1
InChIKey
InChIKey=LKXYGECCDRHOMD-UHFFFAOYSA-N
Formula
C21H14ClN3O2S
Mass
407.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzofurans
Alternative Parents
3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Aniline and substituted anilines Aryl ketones Toluenes N-arylated-2-aminothiophenes Aryl chlorides Vinylogous amides Furans Heteroaromatic compounds Secondary amines Oxacyclic compounds Nitriles Organochlorides Organic oxides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzofuran - 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Aryl ketone - Aniline or substituted anilines - N-arylated-2-aminothiophene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 2-aminothiophene - Benzenoid - Aminothiophene - Heteroaromatic compound - Furan - Thiophene - Vinylogous amide - Ketone - Oxacycle - Secondary amine - Carbonitrile - Nitrile - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
External Descriptors
Not available