Structure Information
Structure

Compound Identification

SMILES

OB=S.CC1=CC(NS(=O)(=O)C2=C(C)C=CC(=C2)C(C)(C)CC(C)(C)C)=CC(=C1)C1=NN2N=C(C(=NC3=C(C)C=C(C=C3)N(CCC#N)CCC#N)C2=N1)C(C)(C)C

InChIKey

InChIKey=FPZDNDQLFXMHDP-UHFFFAOYSA-N

Formula

C43H54BN9O3S2

Mass

819.9

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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 heteropolycyclic compounds

Substituents

Phenyl-1,2,4-triazole - Benzenesulfonamide - Sulfanilide - Phenylpropane - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Toluene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Secondary ketimine - Azomethine - Ketimine - Tertiary amine - Organic 1,3-dipolar compound - Organic metalloid salt - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Cyanide - Organic oxide - Amine - Imine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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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