Structure Information
Structure

Compound Identification

SMILES

[I-].CC[N+]1=C(SC2=CC=CC=C12)\C=C\C1=CC=C(O1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=KNTJAKMXCCGXRY-UNGNXWFZSA-M

Formula

C21H17IN2O3S

Mass

504.34

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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

1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Azole - Furan - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic iodide salt - Organic salt - Organic oxide - Hydrocarbon derivative - 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

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