Compound Identification
SMILES
CCC(C)C1=CC=CC=C1OC(=O)NC.CCOP(=S)(OCC)SCN1N=NC2=CC=CC=C2C1=O.CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1
InChIKey
InChIKey=RMYOOUDJJBOUMG-UHFFFAOYSA-N
Formula
C43H56N7O5PS2
Mass
846.06
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
Phenyl methylcarbamates Phenylpropanes m-Xylenes Phenoxy compounds Triazinones 1,2,3-triazines Dithiophosphate O-esters Dithiophosphate S-esters Heteroaromatic compounds Carbamate esters Lactams Tertiary amines Organothiophosphorus compounds Formamidines Azacyclic compounds Carboxamidines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzotriazine organothiophosphate - Phenyl methylcarbamate - Phenylpropane - Phenoxy compound - Xylene - M-xylene - Triazinone - Monocyclic benzene moiety - Triazine - Dithiophosphate s-ester - Benzenoid - 1,2,3-triazine - Dithiophosphate o-ester - Heteroaromatic compound - Carbamic acid ester - Organic dithiophosphate - Lactam - Tertiary amine - Carboxylic acid amidine - Azacycle - Organic 1,3-dipolar compound - Organothiophosphorus compound - Propargyl-type 1,3-dipolar organic compound - Formamidine - Amidine - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organonitrogen 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