Compound Identification
SMILES
CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl.CCOP(=S)(OCC)OC1=NC(=NC(C)=C1)C(C)C.COP(=S)(OC)SCN1N=NC2=CC=CC=C2C1=O
InChIKey
InChIKey=OAELJZPZZARASX-UHFFFAOYSA-N
Formula
C31H44Cl3N6O9P3S4
Mass
972.24
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
Pyrimidinyl phosphorothioates Thiophosphate triesters Polyhalopyridines Triazinones 2-halopyridines 1,2,3-triazines Aryl chlorides Benzenoids Dithiophosphate O-esters Dithiophosphate S-esters Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Lactams Sulfenyl compounds Organothiophosphorus compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Not available
Substituents
Benzotriazine organothiophosphate - Pyrimidinyl phosphorothioate - Aryl thiophosphate - Thiophosphate triester - Polyhalopyridine - Triazinone - 2-halopyridine - Pyridine - Pyrimidine - Triazine - Aryl chloride - Dithiophosphate s-ester - Organic thiophosphoric acid or derivatives - Dithiophosphate o-ester - Thiophosphoric acid ester - 1,2,3-triazine - Aryl halide - Benzenoid - Organic dithiophosphate - Heteroaromatic compound - Lactam - Organothiophosphorus compound - Azacycle - Sulfenyl compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - 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