Compound Identification
SMILES
CC1=C2N=C(NC3=NC=NC(NC4=C(F)C=C(Br)C=C4)=C3[N+]([O-])=O)SC2=CC=C1
InChIKey
InChIKey=AWIXQLJUPMMWKK-UHFFFAOYSA-N
Formula
C18H12BrFN6O2S
Mass
475.3
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
Aniline and substituted anilines Nitroaromatic compounds Aminopyrimidines and derivatives Bromobenzenes Fluorobenzenes 2-amino-1,3-thiazoles Aryl bromides Aryl fluorides Imidolactams Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organofluorides Organic zwitterions Organic salts Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Pyrimidine - Benzenoid - Imidolactam - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Azole - Organic nitro compound - C-nitro compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organic zwitterion - Organobromide - Organofluoride - Organonitrogen 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