Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C2SC(=S)N(C=C(C#N)C3=NC4=CC=CC=C4S3)C2=O)C=C1
InChIKey
InChIKey=TWGMZRJSYHTIJB-UHFFFAOYSA-N
Formula
C20H10N4O3S3
Mass
450.51
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 Thiazolidinethiones Cyclic dithiocarbamic acid esters Heteroaromatic compounds Thiazoles Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Nitriles Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organosulfur compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Thiazolidinethione - Benzenoid - Azole - Cyclic dithiocarbamic acid ester - Heteroaromatic compound - Thiazole - Dithiocarbamic acid ester - Thiazolidine - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic cation - 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