Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N=C(S\C=C\C(=O)C1=CC=C(Br)C=C1)S2
InChIKey
InChIKey=WEXGAOSFINPVRF-MDZDMXLPSA-N
Formula
C18H14BrNO2S2
Mass
420.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Aryl ketones Phenol ethers Aryl thioethers Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Vinylogous thioesters Aryl bromides Acryloyl compounds Thiazoles Enones Heteroaromatic compounds Thioenol ethers Azacyclic compounds Sulfenyl compounds Organobromides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aryl thioether - Benzoyl - Aryl ketone - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Acryloyl-group - Azole - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Thiazole - Ketone - Thioenolether - Sulfenyl compound - Ether - Azacycle - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available