Structure Information
Structure

Compound Identification

SMILES

CN(C)\C=N\S(=O)(=O)C1=NN2C(S1)=NC(=C2C=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=PJBIYCFFSDKDFJ-OVCLIPMQSA-N

Formula

C14H12N6O5S2

Mass

408.41

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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

Nitrobenzenes Nitroaromatic compounds Aryl-aldehydes Carbonylimidazoles N-substituted imidazoles Thiadiazoles Sulfonyls Heteroaromatic compounds Organosulfonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Formamidines Organic oxoazanium compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-phenylimidazole - 4-phenylimidazole - Nitrobenzene - Nitroaromatic compound - Imidazole-4-carbonyl group - Aryl-aldehyde - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiadiazole - C-nitro compound - Organic nitro compound - Amidine - Formamidine - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aldehyde - Organic oxygen compound - Organopnictogen compound - 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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