Structure Information
Structure

Compound Identification

SMILES

CN1C=NC(=C1SCC(O)CN1CCCCC1)[N+]([O-])=O

InChIKey

InChIKey=JRHSFEMHVXWJQQ-UHFFFAOYSA-N

Formula

C12H20N4O3S

Mass

300.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Imidazoles

Intermediate Tree Nodes

Substituted imidazoles

Direct Parent

Nitroimidazoles

Alternative Parents

Nitroaromatic compounds Alkylarylthioethers Piperidines N-substituted imidazoles Imidolactams Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl thioether - Nitroaromatic compound - Nitroimidazole - Alkylarylthioether - N-substituted imidazole - Piperidine - Imidolactam - Heteroaromatic compound - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Amine - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro group.

External Descriptors

Not available

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