Compound Identification
SMILES
Cc1cccc(n1)-c1[nH]c(CNc2ccc(F)cc2)nc1-c1ccc2nsnc2c1
InChIKey
InChIKey=NYCBVTAWFSXLGH-UHFFFAOYSA-N
Formula
C22H17FN6S
Mass
416.48
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
Phenylalkylamines Secondary alkylarylamines Fluorobenzenes 2-halopyridines Thiadiazoles Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,1,3-benzothiadiazole - Phenylalkylamine - 2-halopyridine - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Thiadiazole - Imidazole - Azole - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - 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