Compound Identification
SMILES
[Al]#P.CCOP(=S)(OCC)SCN1N=NC2=CC=CC=C2C1=O
InChIKey
InChIKey=DIOSMXOIYGDLNJ-UHFFFAOYSA-N
Formula
C12H16AlN3O3P2S2
Mass
403.33
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 Dithiophosphate S-esters Dithiophosphate O-esters Benzenoids 1,2,3-triazines Heteroaromatic compounds Lactams Sulfenyl compounds Organothiophosphorus compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzotriazine organothiophosphate - Triazinone - Triazine - Dithiophosphate s-ester - Benzenoid - 1,2,3-triazine - Dithiophosphate o-ester - Heteroaromatic compound - Organic dithiophosphate - Lactam - Azacycle - Sulfenyl compound - Organothiophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organopnictogen compound - 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