Structure Information
Structure

Compound Identification

SMILES

CCO.CCCC1=C2C(C3=CC(CSC4=CC=CC=N4)=C(OC)C=C3)C(C#N)=C(N)OC2=NN1

InChIKey

InChIKey=HVDMQVSAFALNPL-UHFFFAOYSA-N

Formula

C25H29N5O3S

Mass

479.6

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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

Phenoxy compounds Methoxybenzenes Alkylarylthioethers Alkyl aryl ethers Pyridines and derivatives Pyrazoles Heteroaromatic compounds Ketene acetals Sulfenyl compounds Oxacyclic compounds Nitriles Azacyclic compounds Primary alcohols Hydrocarbon derivatives Amines

Molecular Framework

Not available

Substituents

Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Ketene acetal or derivatives - Ether - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Cyanide - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic 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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