Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=C2[C@@H](C3=CC(CSC4=NCCS4)=C(OC)C=C3)C(C#N)=C(N)OC2=NN1

InChIKey

InChIKey=UWSVLPAQWQIZBB-FQEVSTJZSA-N

Formula

C25H23N5O3S2

Mass

505.61

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Pyrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrazoles

Alternative Parents

Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thiazolines Heteroaromatic compounds Ketene acetals Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Amines

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylpyrazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Meta-thiazoline - Ketene acetal or derivatives - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

External Descriptors

Not available

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