Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazoles

Alternative Parents

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

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