Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=O)\C(C=C1)=C1/NC(SC)=N\C(N1)=C1/C=CC(OC)=CC1=O

InChIKey

InChIKey=PXWUVRBUSQUKNG-RFTYBOQRSA-N

Formula

C18H17N3O4S

Mass

371.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

O-quinomethane - Triazine - 1,3,5-triazine - Vinylogous amide - Vinylogous ester - Isothiourea - Ketene acetal or derivatives - Azacycle - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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