Structure Information
Structure

Compound Identification

SMILES

CNC(=S)NNC(=O)CCN1C=CC(=N1)[N+]([O-])=O

InChIKey

InChIKey=OVSHNAOSXRFWNM-UHFFFAOYSA-N

Formula

C8H12N6O3S

Mass

272.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic 1,3-dipolar compounds

Class

Allyl-type 1,3-dipolar organic compounds

Subclass

Organic nitro compounds

Intermediate Tree Nodes

C-nitro compounds

Direct Parent

Nitroaromatic compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - Imidolactam - Azole - Pyrazole - Thiosemicarbazide - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic salt - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.

External Descriptors

Not available

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