Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=C(C=CC(F)=C1)N1CS\C1=N/N=C/C1=CC=C(C=C1)C1=NN(C=N1)C1=CC=C(C=C1)C(F)(F)F

InChIKey

InChIKey=BYMWSSNKACRUBS-UMDXLMEPSA-N

Formula

C27H22F4N6S

Mass

538.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-triazole - Trifluoromethylbenzene - Phenyl-1,3-thiazetidine - Cumene - Phenylpropane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - 1,3-thiazetidine - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

External Descriptors

Not available

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