Compound Identification
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)N(CC#C)C(S2)=NC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=CDOUURZZDYELNF-UHFFFAOYSA-N
Formula
C18H13N3O5S2
Mass
415.44
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
Benzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Thiazoles Sulfones Heteroaromatic compounds Isothioureas Acetylides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Azole - Sulfone - Sulfonyl - Thiazole - Heteroaromatic compound - Organic nitro compound - Isothiourea - C-nitro compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Acetylide - Carboxylic acid derivative - Organic oxoazanium - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen 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