Structure Information
Structure

Compound Identification

SMILES

OC1=C(O)C=C(C=C1)C1=CSC2=NC3=CC=CC=C3CCN12

InChIKey

InChIKey=QABXUUGOQUQSOK-UHFFFAOYSA-N

Formula

C17H14N2O2S

Mass

310.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Benzenediols

Intermediate Tree Nodes

Not available

Direct Parent

Catechols

Alternative Parents

1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Thiazolines Thiazoles Isothioureas Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Thiazole - Meta-thiazoline - Isothiourea - Enamine - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.

External Descriptors

Not available

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