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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic sulfuric acids and derivatives
- Subclass Arylsulfates
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Class
Organic sulfuric acids and derivatives
-
Superclass
Organic acids and derivatives
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
Benzothiazoles Secondary alkylarylamines Sulfuric acid monoesters Pyridines and derivatives Benzenoids 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
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