Compound Identification
SMILES
COP(=S)(OC)SCN1N=NC2=CC=CC=C2C1=O.CC(C)CC(C)C1=C(NC(=O)C2=CN(C)N=C2C(F)(F)F)C=CS1
InChIKey
InChIKey=QULHGIMIPLXPRZ-UHFFFAOYSA-N
Formula
C26H32F3N6O4PS3
Mass
676.73
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
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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 O-esters Dithiophosphate S-esters Thiophenes Pyrazoles Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Organothiophosphorus compounds Alkyl fluorides Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Not available
Substituents
Benzotriazine organothiophosphate - Triazinone - Dithiophosphate o-ester - Triazine - 1,2,3-triazine - Benzenoid - Dithiophosphate s-ester - Azole - Pyrazole - Thiophene - Heteroaromatic compound - Organic dithiophosphate - Lactam - Carboximidic acid - Carboximidic acid derivative - Organothiophosphorus compound - Azacycle - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - 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