Compound Identification
SMILES
BrC1=CC=C(C=C1)C1=NC2=C(CSC3=CC=CC=C3C2=O)O1
InChIKey
InChIKey=JHEJUMMLGXELKV-UHFFFAOYSA-N
Formula
C17H10BrNO2S
Mass
372.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Phenyl-1,3-oxazoles Aryl ketones Bromobenzenes Alkylarylthioethers Vinylogous thioesters Aryl bromides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,3-oxazole - Benzothiepin - Aryl thioether - Aryl ketone - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Azole - Heteroaromatic compound - Oxazole - Ketone - Thioether - Oxacycle - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aldehyde - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available