Compound Identification
SMILES
CC1=C2N=C(NC3=NC=NC(NC4=CC(Br)=CC=C4)=C3[N+]([O-])=O)SC2=CC=C1
InChIKey
InChIKey=XVWIFXVGBKQKGY-UHFFFAOYSA-N
Formula
C18H13BrN6O2S
Mass
457.31
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 2-amino-1,3-thiazoles Aryl bromides Imidolactams Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organobromides Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Pyrimidine - Aryl halide - Benzenoid - Aryl bromide - Imidolactam - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Secondary amine - Azacycle - Organic oxide - Organohalogen compound - Amine - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Hydrocarbon derivative - 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