Structure Information
Structure

Compound Identification

SMILES

CN1\C(SC2=CC=CC=C12)=C\C1=CC=[N+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[N+]2=CC=C(\C=C3/SC4=CC=CC=C4N3C)C=C2)C=C1

InChIKey

InChIKey=OUIWRUVXYIBBQY-UHFFFAOYSA-N

Formula

C41H54N6S2

Mass

695.04

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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

Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Pyridine - Pyridinium - Benzenoid - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Thiazole - Ketene acetal or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organopnictogen compound - Organic salt - 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

CHEBI:52802 : cyanine dye - organic cation

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