Compound Identification
SMILES
CNC(=O)OC1=CC=CC2=C1OC(C)(C)O2.COP(=S)(OC)SCN1N=NC2=CC=CC=C2C1=O
InChIKey
InChIKey=XIDOTKPWWHQNMW-UHFFFAOYSA-N
Formula
C21H25N4O7PS2
Mass
540.55
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
Benzodioxoles Triazinones Ketals 1,2,3-triazines Benzenoids Dithiophosphate S-esters Dithiophosphate O-esters Heteroaromatic compounds Carbamate esters Lactams Sulfenyl compounds Oxacyclic compounds Organothiophosphorus compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Not available
Substituents
Benzotriazine organothiophosphate - Benzodioxole - Triazinone - Ketal - Triazine - Dithiophosphate s-ester - Benzenoid - 1,2,3-triazine - Dithiophosphate o-ester - Heteroaromatic compound - Carbamic acid ester - Organic dithiophosphate - Lactam - Sulfenyl compound - Acetal - Organothiophosphorus compound - Azacycle - Oxacycle - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - 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