Structure Information
Structure

Compound Identification

SMILES

NC(=O)CSC1=C(N=CN1CC1=CC=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=WEVFVSGDSAWVNW-UHFFFAOYSA-N

Formula

C12H12N4O3S

Mass

292.31

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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 Benzene and substituted derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Primary carboxylic acid amides Organic oxoazanium compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl thioether - Nitroaromatic compound - Nitroimidazole - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Imidolactam - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Primary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organic oxoazanium - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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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