Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(NCC2=CC=CC=C2)N=C2SC=CN12

InChIKey

InChIKey=HUWZQSQAVYMDCF-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

Nitroaromatic compounds Benzylamines N-substituted imidazoles Imidolactams Aminoimidazoles Thiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Amines

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Nitroaromatic compound - Benzylamine - Nitroimidazole - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Benzenoid - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic salt - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic 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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