Compound Identification
SMILES
CC1=NN=C2CCSC3=C(C=CC(Br)=C3)N12
InChIKey
InChIKey=IGNAOHWIZBYUBG-UHFFFAOYSA-N
Formula
C11H10BrN3S
Mass
296.19
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazepines
Alternative Parents
Alkylarylthioethers Benzenoids Aryl bromides Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Aryl thioether - Alkylarylthioether - Aryl bromide - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - 1,2,4-triazole - Azacycle - Thioether - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
External Descriptors
Not available