Structure Information
Structure

Compound Identification

SMILES

NC(=O)NNC(=S)NC(=O)C1=COCCO1

InChIKey

InChIKey=XQJUEUCYCAGDNG-UHFFFAOYSA-N

Formula

C7H10N4O4S

Mass

246.24

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dioxins

Subclass

Para dioxins

Intermediate Tree Nodes

Not available

Direct Parent

Para dioxins

Alternative Parents

Vinylogous esters Thiosemicarbazides Semicarbazides Hydrazinecarboxamides Oxacyclic compounds Organosulfur compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Para-dioxin - Semicarbazide - Thiosemicarbazide - Hydrazinecarboxamide - Vinylogous ester - Carboxylic acid derivative - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as para dioxins. These are compounds containing a para dioxin moiety, which consists of an unsaturated six-member ring with two oxygen atoms at positions 1 and 4, as well as two CC double bonds.

External Descriptors

Not available

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