Structure Information
Structure

Compound Identification

SMILES

CCN(CCCCO[C@@H]1CO1)C1=NC=C(S1)\C=C1/C2=NN=C(N2N=C1C(C)(C)C)C1=C(OC)C=CC(OC)=C1

InChIKey

InChIKey=JUJAYFFRQWNMDR-RNHBDSLOSA-N

Formula

C28H36N6O4S

Mass

552.69

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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 - Dimethoxybenzene - P-dimethoxybenzene - Anisole - Phenol ether - Dialkylarylamine - Phenoxy compound - Methoxybenzene - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - 1,3-thiazol-2-amine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Pyrazole - Oxacycle - Azacycle - Oxirane - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen 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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