Compound Identification
SMILES
BrC1=CC=CC=C1NC1=NC(=O)\C(S1)=C\C1=CC2=NSN=C2C=C1
InChIKey
InChIKey=BKNFIEUDGAGBEV-ZSOIEALJSA-N
Formula
C16H9BrN4OS2
Mass
417.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiadiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiadiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiadiazoles
Alternative Parents
Aniline and substituted anilines Bromobenzenes Aryl bromides Thiazolines Thiadiazoles Heteroaromatic compounds N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,1,3-benzothiadiazole - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Meta-thiazoline - Thiadiazole - N-acylimine - Isothiourea - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.
External Descriptors
Not available