Compound Identification
SMILES
ClC1=CC=C(CNCCOC2=CC=CC3=C2NC(=S)N3)C=C1
InChIKey
InChIKey=FDUCVLNGSXJWRF-UHFFFAOYSA-N
Formula
C16H16ClN3OS
Mass
333.83
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
Phenylmethylamines Phenol ethers Benzylamines Chlorobenzenes Aralkylamines Alkyl aryl ethers Imidazolethiones Aryl chlorides Imidazoles Heteroaromatic compounds Thioureas Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aralkylamine - Imidazole-2-thione - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Imidazole - Heteroaromatic compound - Thiourea - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organohalogen 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