Structure Information
Structure

Compound Identification

SMILES

CC1=NN2C(SC(C(N3CCN(CCO)CC3)C3=CC=C(Br)C=C3)=C2O)=N1

InChIKey

InChIKey=NGTMHCDHLPBKRC-UHFFFAOYSA-N

Formula

C18H22BrN5O2S

Mass

452.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Triazolothiazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Triazolothiazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Triazolothiazole - Bromobenzene - Aralkylamine - N-alkylpiperazine - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Azole - Heteroaromatic compound - 1,2,4-triazole - Thiazole - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as triazolothiazoles. These are polycyclic compounds containing a triazole ring fused to a thiazole ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Thiazole is a 6-membered ring that contains both sulfur and nitrogen.

External Descriptors

Not available

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