Compound Identification
SMILES
CC(O)=C(N1C(=S)NC2=CC=CC=C12)C(C)=O
InChIKey
InChIKey=QXDPRJVSPIJDLT-UHFFFAOYSA-N
Formula
C12H12N2O2S
Mass
248.3
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
N-substituted imidazoles Imidazolethiones Benzenoids Alpha-branched alpha,beta-unsaturated ketones Vinylogous acids Heteroaromatic compounds Enones Acryloyl compounds Thioureas Ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Imidazole-2-thione - N-substituted imidazole - Acryloyl-group - Azole - Enone - Heteroaromatic compound - Imidazole - Vinylogous acid - Alpha,beta-unsaturated ketone - Thiourea - Ketone - Azacycle - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen 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