Compound Identification
SMILES
CN1C(CSC2=NC(=NO2)C2=CC=CC=C2)=NC=C1[N+]([O-])=O
InChIKey
InChIKey=JDRPULZAJSMGBY-UHFFFAOYSA-N
Formula
C13H11N5O3S
Mass
317.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxadiazoles
-
Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
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Level 5
1,2,4-oxadiazoles
-
Subclass
Oxadiazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxadiazoles
Intermediate Tree Nodes
1,2,4-oxadiazoles
Direct Parent
Phenyloxadiazoles
Alternative Parents
1,2,5-trisubstituted imidazoles Nitroimidazoles Nitroaromatic compounds Alkylarylthioethers Benzene and substituted derivatives N-substituted imidazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - 1,2,5-trisubstituted-imidazole - Aryl thioether - Nitroaromatic compound - Nitroimidazole - Trisubstituted imidazole - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Organic oxoazanium - Thioether - Sulfenyl compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors
Not available