Compound Identification
SMILES
COC1=C(OC)C=C2N(C=NC2=C1)C1=CC(OCC2CCCO2)C(=S)C(=C1)C#N
InChIKey
InChIKey=WJXUPWRAKMALGD-UHFFFAOYSA-N
Formula
C21H21N3O4S
Mass
411.48
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
Anisoles Alkyl aryl ethers N-substituted imidazoles Oxolanes Heteroaromatic compounds Thioketones Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Anisole - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Oxolane - Thioketone - Dialkyl ether - Ether - Oxacycle - Azacycle - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - 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