Compound Identification
SMILES
CC1=CN2C=C(COC(=O)C3=CC=C(C=C3)N3C=NC=N3)N=C2C=C1
InChIKey
InChIKey=NVALFAVIDBOQKW-UHFFFAOYSA-N
Formula
C18H15N5O2
Mass
333.351
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
-
Level 5
Phenyltriazoles
-
Subclass
Triazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Benzoic acid esters Imidazopyridines Imidazo[1,2-a]pyridines Benzoyl derivatives Methylpyridines N-substituted imidazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Benzoate ester - Benzoic acid or derivatives - Imidazo[1,2-a]pyridine - Imidazopyridine - Benzoyl - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Pyridine - N-substituted imidazole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available