Compound Identification
SMILES
CCNC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O
InChIKey
InChIKey=BHAANOQBKVKMAY-UHFFFAOYSA-N
Formula
C9H11N3O2S2
Mass
257.33
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
Secondary alkylarylamines Organosulfonamides Benzenoids Thiazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Secondary aliphatic/aromatic amine - Benzenoid - Organosulfonic acid amide - Azole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Aminosulfonyl compound - Thiazole - Sulfonyl - Secondary amine - Azacycle - Amine - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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