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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzo-1,2,3-triazines
- Subclass Benzotriazine organothiophosphates
-
Class
Benzo-1,2,3-triazines
-
Superclass
Organoheterocyclic compounds
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
Triazinones 1,2,3-triazines Benzene and substituted derivatives Dithiophosphate S-esters Dithiophosphate O-esters Heteroaromatic compounds Lactams Carboxylic acid esters Sulfenyl compounds Organothiophosphorus compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
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