Compound Identification
SMILES
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.COP(=S)(OC)SCN1N=NC2=CC=CC=C2C1=O
InChIKey
InChIKey=GAGRCDQIJQHTGA-UHFFFAOYSA-N
Formula
C16H18Cl6N3O3PS2
Mass
608.13
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 Cyclohexyl halides 1,2,3-triazines Benzenoids Dithiophosphate O-esters Dithiophosphate S-esters Heteroaromatic compounds Lactams Sulfenyl compounds Organothiophosphorus compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Alkyl chlorides Organooxygen compounds
Molecular Framework
Not available
Substituents
Benzotriazine organothiophosphate - Cyclohexyl halide - Triazinone - Triazine - Dithiophosphate o-ester - 1,2,3-triazine - Benzenoid - Dithiophosphate s-ester - Heteroaromatic compound - Organic dithiophosphate - Lactam - Organothiophosphorus compound - Azacycle - Sulfenyl compound - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - 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