Compound Identification
SMILES
CCOC(=O)C(=C1NC2=CC=CC=C2N1)C1=NC(N)=C(C#N)C(=CS1)C1=CC=CC=C1
InChIKey
InChIKey=LXHDWUPNIKVADQ-UHFFFAOYSA-N
Formula
C23H19N5O2S
Mass
429.5
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
Meta thiazepines Benzene and substituted derivatives Vinylogous amides Enoate esters Ketene acetals Propargyl-type 1,3-dipolar organic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Meta-thiazepine - Monocyclic benzene moiety - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Ketene acetal or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Hydrocarbon derivative - Organonitrogen compound - Cyanide - Amine - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - 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