Compound Identification
SMILES
CO[C@H](C(O)=O)[C@]1(C)CO[P@@](=S)(OC1)SCN1N=NC2=CC=CC=C2C1=O
InChIKey
InChIKey=NXMHBZQUZSHBIP-VNFRKBOCSA-N
Formula
C15H18N3O6PS2
Mass
431.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzo-1,2,3-triazines
- Subclass Benzotriazine organothiophosphates
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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 Benzenoids Dithiophosphate S-esters Dithiophosphate O-esters Heteroaromatic compounds Lactams Sulfenyl compounds Oxacyclic compounds Organothiophosphorus compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzotriazine organothiophosphate - Triazinone - Triazine - Dithiophosphate o-ester - Dithiophosphate s-ester - Benzenoid - 1,2,3-triazine - Organic dithiophosphate - Heteroaromatic compound - Lactam - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organothiophosphorus compound - Sulfenyl compound - Oxacycle - Azacycle - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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