Structure Information
Structure

Compound Identification

SMILES

CCC(C)C1=CC=CC=C1OC(=O)NC.CCOP(=S)(OCC)SCN1N=NC2=CC=CC=C2C1=O.CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1

InChIKey

InChIKey=RMYOOUDJJBOUMG-UHFFFAOYSA-N

Formula

C43H56N7O5PS2

Mass

846.06

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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 - Phenyl methylcarbamate - Phenylpropane - Phenoxy compound - Xylene - M-xylene - Triazinone - Monocyclic benzene moiety - Triazine - Dithiophosphate s-ester - Benzenoid - 1,2,3-triazine - Dithiophosphate o-ester - Heteroaromatic compound - Carbamic acid ester - Organic dithiophosphate - Lactam - Tertiary amine - Carboxylic acid amidine - Azacycle - Organic 1,3-dipolar compound - Organothiophosphorus compound - Propargyl-type 1,3-dipolar organic compound - Formamidine - Amidine - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - 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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