Structure Information
Structure

Compound Identification

SMILES

CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl.CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C.COP(=S)(OC)SCN1N=NC2=CC=CC=C2C1=O

InChIKey

InChIKey=OAELJZPZZARASX-UHFFFAOYSA-N

Formula

C31H44Cl3N6O9P3S4

Mass

972.24

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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 - Pyrimidinyl phosphorothioate - Aryl thiophosphate - Thiophosphate triester - Polyhalopyridine - Triazinone - 2-halopyridine - Pyridine - Pyrimidine - Triazine - Aryl chloride - Dithiophosphate s-ester - Organic thiophosphoric acid or derivatives - Dithiophosphate o-ester - Thiophosphoric acid ester - 1,2,3-triazine - Aryl halide - Benzenoid - Organic dithiophosphate - Heteroaromatic compound - Lactam - Organothiophosphorus compound - Azacycle - Sulfenyl compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen 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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