Structure Information
Structure

Compound Identification

SMILES

COCCN1C(=NC2=C1N=C(C)C=C2)C1=CN=C(N1)C1=CC(=C(S)C=C1)[N+]([O-])=O

InChIKey

InChIKey=ZFFTUMLNIFKAKY-UHFFFAOYSA-N

Formula

C19H18N6O3S

Mass

410.45

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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 Imidazopyridines Thiophenols Nitroaromatic compounds Methylpyridines N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Thiols Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylimidazole - Nitrobenzene - Imidazopyridine - Nitroaromatic compound - Thiophenol - Methylpyridine - Benzenoid - Pyridine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Arylthiol - Organic oxoazanium - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen 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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