Structure Information
Structure

Compound Identification

SMILES

O=C1CCCC(NNC(=S)C2=CN=CC=C2)=C1

InChIKey

InChIKey=PTDKKPYQSCNGIR-UHFFFAOYSA-N

Formula

C12H13N3OS

Mass

247.32

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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

Direct Parent

Cyclohexenones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cyclohexenone - Pyridine - Heteroaromatic compound - Vinylogous amide - Thioamide - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

External Descriptors

Not available

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