Compound Identification
SMILES
CSC1=NC2=C(N=N1)C1=C(N[C@@H](O2)C2=CC=CC=N2)C=CC(Br)=C1
InChIKey
InChIKey=KTXYQBRWWBQFDY-AWEZNQCLSA-N
Formula
C16H12BrN5OS
Mass
402.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazepines
Alternative Parents
Alkylarylthioethers 1,3-oxazepines Pyridines and derivatives Benzenoids Aryl bromides 1,2,4-triazines Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazepine - Aryl thioether - Meta-oxazepine - Alkylarylthioether - Aryl bromide - Aryl halide - Pyridine - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Oxacycle - Azacycle - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
External Descriptors
Not available