Structure Information
Structure

Compound Identification

SMILES

CC1=C(S)C(F)=C(C=C1)C1=CN2CCNCC2=N1

InChIKey

InChIKey=SHVGFZWKNWPRAL-UHFFFAOYSA-N

Formula

C13H14FN3S

Mass

263.33

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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

Thiophenols Toluenes Fluorobenzenes Aralkylamines N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Thiols Organofluorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-phenylimidazole - 4-phenylimidazole - Thiophenol - Fluorobenzene - Halobenzene - Toluene - Aralkylamine - Aryl halide - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Arylthiol - Secondary amine - Azacycle - Secondary aliphatic amine - Hydrocarbon derivative - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic nitrogen 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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