Structure Information
Structure

Compound Identification

SMILES

O=C(NCC[NH+]1CCCCC1)C1=CC=C(C=C1)C1=CSC2=NC(=NN12)C1=CC=C(OCC[NH+]2CCCCC2)C=C1

InChIKey

InChIKey=NDPGEWSBBDFTAX-UHFFFAOYSA-P

Formula

C31H40N6O2S

Mass

560.76

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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 - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Triazolothiazole - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic cation - 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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