Compound Identification
SMILES
CC1=NN(C(=O)C2=CC=NC=C2)C(C)=C1N=NC1=NC2=C(S1)C=C(C=C2)[N+]([O-])=O
InChIKey
InChIKey=COYNEOXJPGBWFO-UHFFFAOYSA-N
Formula
C18H13N7O3S
Mass
407.41
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
Pyridinecarboxylic acids and derivatives Nitroaromatic compounds Benzenoids Thiazoles Pyrazoles Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Pyridine carboxylic acid or derivatives - Nitroaromatic compound - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Thiazole - Azo compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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