Compound Identification
SMILES
OC(=O)CCSCC(=O)C1=CC2=C(NC(=C)N2)C=C1Cl
InChIKey
InChIKey=CHRQIXMQZIWMAM-UHFFFAOYSA-N
Formula
C13H13ClN2O3S
Mass
312.77
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
Aryl alkyl ketones Benzenoids Aryl chlorides Vinylogous halides Ketene acetals Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Aryl alkyl ketone - Aryl ketone - Aryl chloride - Aryl halide - Benzenoid - Vinylogous halide - Ketene acetal or derivatives - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Amine - 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