Structure Information
Structure

Compound Identification

SMILES

CNC1=NC2=C(S1)C(C)=C(OS(O)(=O)=O)C(C)=C2CC1=CN=CC=C1

InChIKey

InChIKey=LPZDTQCWCMPFND-UHFFFAOYSA-N

Formula

C16H17N3O4S2

Mass

379.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Organic sulfuric acids and derivatives

Subclass

Arylsulfates

Intermediate Tree Nodes

Not available

Direct Parent

Arylsulfates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Arylsulfate - 1,3-benzothiazole - Secondary aliphatic/aromatic amine - Pyridine - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Benzenoid - 1,3-thiazol-2-amine - Thiazole - Azole - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group.

External Descriptors

CHEBI:4734 : benzothiazoles - heterocyclyl sulfate

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