Structure Information
Structure

Compound Identification

SMILES

CCN(CCNS(C)(=O)=O)C1=CC(C)=C(C=C1)N1C(=O)NC2=NC=CN2C11N2N=C(N=C2C(C(=O)OC2C(C)CC(C)CC2C)=C1C#N)C1=CC=CC=C1C

InChIKey

InChIKey=WVUJBYUFGFRVBU-UHFFFAOYSA-N

Formula

C39H46N10O5S

Mass

766.92

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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 - Diaminotoluene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Toluene - Triazinone - Monocyclic benzene moiety - Triazine - N-substituted imidazole - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid amide - 1,3,5-triazine - Organic sulfonic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Imidazole - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Aminosulfonyl compound - Amino acid or derivatives - Carboxylic acid ester - Ortho amide - Urea - Tertiary amine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - 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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