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Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)[C@H]1[C@H](C#N)C([S-])=N[C@](C)(O)[C@@H]1[N+]1=CC=CC=C1

InChIKey

InChIKey=AXSLNPCGNRJEAD-IMBTUZDBSA-N

Formula

C19H19N3O2S

Mass

353.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Anisoles

Intermediate Tree Nodes

Not available

Direct Parent

Anisoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Anisole - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Tetrahydropyridine - Monocyclic benzene moiety - Hydropyridine - Pyridine - Pyridinium - Cyclic imidothioic acid - Heteroaromatic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Alkanolamine - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

External Descriptors

Not available

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