Compound Identification
SMILES
CC1=CC(CN2C(SCCCC(O)=O)=NC3=C2C=CC(=C3)C#N)=C(C)C=C1
InChIKey
InChIKey=CRUFQPOBEIQEPA-UHFFFAOYSA-N
Formula
C21H21N3O2S
Mass
379.48
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
p-Xylenes Thia fatty acids Alkylarylthioethers N-substituted imidazoles Heteroaromatic compounds Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Aryl thioether - P-xylene - Xylene - Thia fatty acid - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Fatty acyl - Azole - Imidazole - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Organic oxide - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - 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