Compound Identification
SMILES
CC1=C(C#N)C2=NC3=CC=CC=C3N2C(SCCOC2=CC=C(Br)C=C2)=C1
InChIKey
InChIKey=WIYDEASSBAMOBN-UHFFFAOYSA-N
Formula
C21H16BrN3OS
Mass
438.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzimidazoles
Alternative Parents
Imidazo[1,2-a]pyridines Phenoxy compounds Phenol ethers Methylpyridines Bromobenzenes Alkylarylthioethers Alkyl aryl ethers N-substituted imidazoles Aryl bromides Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazo[1,2-a]pyridine - Benzimidazole - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Halobenzene - Methylpyridine - Bromobenzene - Alkylarylthioether - N-substituted imidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Sulfenyl compound - Thioether - Ether - Carbonitrile - Nitrile - Organosulfur compound - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors
Not available