Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(N2)SC1CC2=C(C=CC(Cl)=C2)C1=NN=C(N)N
InChIKey
InChIKey=IIFLHXYTFQKNFZ-UHFFFAOYSA-N
Formula
C18H17ClN6OS
Mass
400.89
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
Indanes Anisoles Alkylarylthioethers Alkyl aryl ethers Aryl chlorides Imidazoles Heteroaromatic compounds Guanidines Sulfenyl compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Indane - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Guanidine - Azacycle - Sulfenyl compound - Thioether - Ether - Organosulfur compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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