Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC1=NC2=C(S1)C=C(C=C2)[N+]([O-])=O

InChIKey

InChIKey=FXSQGNUSSGMZJP-UHFFFAOYSA-N

Formula

C21H20N6O5S

Mass

468.49

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,3-benzothiazole - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Carbonic acid diester - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Organic nitro compound - Azo compound - Tertiary amine - C-nitro compound - Carbonic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carbonitrile - Nitrile - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).

External Descriptors

Not available

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