Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(SP(=S)(OC)OC)C1=CC=CC=C1.COP(=S)(OC)SCN1N=NC2=CC=CC=C2C1=O

InChIKey

InChIKey=PSXYEGHTMBNHBG-UHFFFAOYSA-N

Formula

C22H29N3O7P2S4

Mass

637.68

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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 - Triazinone - Monocyclic benzene moiety - Dithiophosphate o-ester - Triazine - 1,2,3-triazine - Benzenoid - Dithiophosphate s-ester - Heteroaromatic compound - Organic dithiophosphate - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organothiophosphorus compound - Azacycle - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - 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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