Compound Identification
SMILES
[I-].COC1=C2C(C3=NN=NN3C3=CC=CC=C3C)[N+](C)(C)CCC2=CC2=C1OCO2
InChIKey
InChIKey=BUWAIBWMSLUBAS-UHFFFAOYSA-M
Formula
C21H24IN5O3
Mass
521.359
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Tetrazoles
- Level 5 Phenyltetrazoles and derivatives
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Subclass
Tetrazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Tetrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltetrazoles and derivatives
Alternative Parents
Tetrahydroisoquinolines Benzodioxoles Anisoles Toluenes Aralkylamines Alkyl aryl ethers Tetraalkylammonium salts Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organic zwitterions Organic iodide salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltetrazole - Tetrahydroisoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Toluene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tetraalkylammonium salt - Quaternary ammonium salt - Azacycle - Oxacycle - Ether - Acetal - Amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic iodide salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
External Descriptors
Not available