Compound Identification
SMILES
CN1C(SC2=CC=CC=C12)=CC(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=LCADENRKNBRLDM-UHFFFAOYSA-N
Formula
C16H12N2O3S
Mass
312.34
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 Aryl ketones Aryl thioethers Benzoyl derivatives Nitroaromatic compounds Vinylogous thioesters Vinylogous amides Thiazoles Acryloyl compounds Enones Ketene acetals Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Amines Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Aryl ketone - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Acryloyl-group - Enone - Thiazole - Vinylogous amide - Ketene acetal or derivatives - Ketone - C-nitro compound - Organic 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 nitrogen compound - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - 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