Structure Information
Structure

Compound Identification

SMILES

CO[C@H](C(O)=O)[C@]1(C)CO[P@@](=S)(OC1)SCN1N=NC2=CC=CC=C2C1=O

InChIKey

InChIKey=NXMHBZQUZSHBIP-VNFRKBOCSA-N

Formula

C15H18N3O6PS2

Mass

431.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzo-1,2,3-triazines

Subclass

Benzotriazine organothiophosphates

Intermediate Tree Nodes

Not available

Direct Parent

Benzotriazine organothiophosphates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzotriazine organothiophosphate - Triazinone - Triazine - Dithiophosphate o-ester - Dithiophosphate s-ester - Benzenoid - 1,2,3-triazine - Organic dithiophosphate - Heteroaromatic compound - Lactam - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organothiophosphorus compound - Sulfenyl compound - Oxacycle - Azacycle - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzotriazine organothiophosphates. These are aromatic compounds containing a benzo-1,2,3-triazine, which is substituted by an organothiophosphate group at the 3-position. Their general structure is R-CSP(=S)(OR')OR'', where R=benzo-1,2,3-triazine, R',R\" = any atom.

External Descriptors

Not available

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