Compound Identification
SMILES
OC1CC2CCC(=O)N2CC2=C(Cl)SC=C12
InChIKey
InChIKey=JJQAGYXLTNAWGK-UHFFFAOYSA-N
Formula
C11H12ClNO2S
Mass
257.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Azepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azepines
Alternative Parents
Pyrrolidine-2-ones N-alkylpyrrolidines Aryl chlorides Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azepine - Aryl chloride - Aryl halide - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Lactam - Carboxamide group - Secondary alcohol - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors
Not available