Compound Identification
SMILES
O=CN1[C@@H](CSC1C1=CN=CC=C1)C(=O)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=PKKHIVDUFQBZTL-ATNAJCNCSA-N
Formula
C18H15N3O2S
Mass
337.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Indoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
Aryl alkyl ketones Substituted pyrroles Pyridines and derivatives Benzenoids Vinylogous amides Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Aryl ketone - Aryl alkyl ketone - Pyridine - Substituted pyrrole - Benzenoid - Pyrrole - Tertiary carboxylic acid amide - Thiazolidine - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Ketone - Thioether - Carboxylic acid derivative - Azacycle - Dialkylthioether - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available