Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C1=C(N2CCSC2=N1)[N+]([O-])=O

InChIKey

InChIKey=ZJKAYMMROJSMCP-UHFFFAOYSA-N

Formula

C12H11N3O2S

Mass

261.3

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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

Phenylimidazoles

Alternative Parents

Nitroimidazoles Nitroaromatic compounds Imidazothiazoles Toluenes Alkylarylthioethers N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-phenylimidazole - 4-phenylimidazole - Aryl thioether - Nitroaromatic compound - Imidazothiazole - Nitroimidazole - Alkylarylthioether - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.

External Descriptors

Not available

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