Structure Information
Structure

Compound Identification

SMILES

CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2.COP(=S)(OC)SCN1N=NC2=CC=CC=C2C1=O

InChIKey

InChIKey=XIDOTKPWWHQNMW-UHFFFAOYSA-N

Formula

C21H25N4O7PS2

Mass

540.55

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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

Not available

Substituents

Benzotriazine organothiophosphate - Benzodioxole - Triazinone - Ketal - Triazine - Dithiophosphate s-ester - Benzenoid - 1,2,3-triazine - Dithiophosphate o-ester - Heteroaromatic compound - Carbamic acid ester - Organic dithiophosphate - Lactam - Sulfenyl compound - Acetal - Organothiophosphorus compound - Azacycle - Oxacycle - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - 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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