Structure Information
Structure

Compound Identification

SMILES

CN1C(CSC2=CC=C(C=C2)C#N)=NC=C1[N+]([O-])=O

InChIKey

InChIKey=QRJJJOHYJNDPRS-UHFFFAOYSA-N

Formula

C12H10N4O2S

Mass

274.3

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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

Thiophenol ethers 1,2,5-trisubstituted imidazoles Benzonitriles Nitroaromatic compounds Alkylarylthioethers N-substituted imidazoles Heteroaromatic compounds Nitriles Organic oxoazanium compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1,2,5-trisubstituted-imidazole - Aryl thioether - Nitroaromatic compound - Benzonitrile - Nitroimidazole - Trisubstituted imidazole - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Azacycle - Organic oxoazanium - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Cyanide - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic cation - 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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