Compound Identification
SMILES
BrC1=CC=C(C=C1)C1=CC=C(O1)C=NNC(=O)CSC1=NC2=CC=CC=C2O1
InChIKey
InChIKey=LBHBKSLOZOZECH-UHFFFAOYSA-N
Formula
C20H14BrN3O3S
Mass
456.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazoles
Alternative Parents
Alkylarylthioethers Bromobenzenes Aryl bromides Oxazoles Heteroaromatic compounds Furans Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Aryl thioether - Halobenzene - Bromobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Furan - Heteroaromatic compound - Oxazole - Carboxylic acid derivative - Thioether - Sulfenyl compound - Oxacycle - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
External Descriptors
Not available