Compound Identification
SMILES
O=C(CSC1=NNC(=O)N1C[C@H]1CCCO1)C(C#N)=C1NC2=CC=CC=C2N1
InChIKey
InChIKey=YDEYESFUHFETGZ-LLVKDONJSA-N
Formula
C18H18N6O3S
Mass
398.44
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
Alkylarylthioethers Benzenoids Vinylogous amides Triazoles Acryloyl compounds Oxolanes Enones Heteroaromatic compounds Ketones Ketene acetals Sulfenyl compounds Nitriles Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Aryl thioether - Alkylarylthioether - Benzenoid - Acryloyl-group - Azole - Enone - Heteroaromatic compound - Oxolane - Vinylogous amide - 1,2,4-triazole - Ketene acetal or derivatives - Ketone - Dialkyl ether - Ether - Oxacycle - Carbonitrile - Nitrile - Azacycle - Thioether - Sulfenyl compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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