Compound Identification
SMILES
BrC1=CC=C(C=C1)C1=CSC2=C3C(CCCN12)=NN(C3=N)C1=CC=CC=C1
InChIKey
InChIKey=BVXILCQGGYGHNQ-UHFFFAOYSA-N
Formula
C21H17BrN4S
Mass
437.36
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
Bromobenzenes Imidolactams Aryl bromides Thiazolines Thiazoles Pyrazolines Thioenol ethers Ketene acetals Enamines Azacyclic compounds Amidines Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azepine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Imidolactam - Benzenoid - Monocyclic benzene moiety - Meta-thiazoline - Thiazole - Pyrazoline - Ketene acetal or derivatives - Thioenolether - Enamine - Amidine - Azacycle - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - Organonitrogen 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