Structure Information
Structure

Compound Identification

SMILES

CC1=NC=C(N1CCSC(=S)N1CCC(CC1)OC(=O)CSC(=S)N1CCCCC1)[N+]([O-])=O

InChIKey

InChIKey=UWTNWIXKBMLDBW-UHFFFAOYSA-N

Formula

C20H29N5O4S4

Mass

531.72

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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

1,2,5-trisubstituted imidazoles Nitroaromatic compounds N-substituted imidazoles Piperidines Dithiocarbamic acid esters Heteroaromatic compounds Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Nitroimidazole - Trisubstituted imidazole - N-substituted imidazole - Piperidine - Heteroaromatic compound - Dithiocarbamic acid ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic salt - 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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