Compound Identification
SMILES
C\C(=N/NC(=S)NC1=NC2=C(S1)C=C(Cl)C=C2)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=MQIQWAAVVUTODH-AWQFTUOYSA-N
Formula
C16H12ClN5O2S2
Mass
405.88
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
Nitrobenzenes Nitroaromatic compounds Thiosemicarbazones Aryl chlorides Thiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organosulfur compounds Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiosemicarbazone - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic oxide - Organochloride - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organic zwitterion - Organic salt - 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