Compound Identification
SMILES
[O-][N+](=O)C1=C(N=CN=C1NC1=CC=C(C=C1)N1C=NC=N1)N1CCC(CC1)SC1=CC=CC=N1
InChIKey
InChIKey=XPABZYFJCKZPIF-UHFFFAOYSA-N
Formula
C22H21N9O2S
Mass
475.53
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
Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Alkylarylthioethers Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Piperidines Heteroaromatic compounds Sulfenyl compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Aryl thioether - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Piperidine - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Tertiary amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Secondary amine - Organic oxoazanium - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic salt - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic 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