Compound Identification
SMILES
COC1=CC=C(NC2=NN=C(SC3=C(N=CN3C)[N+]([O-])=O)S2)C=C1
InChIKey
InChIKey=BKXOMUQUAPHBCG-UHFFFAOYSA-N
Formula
C13H12N6O3S2
Mass
364.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
-
Subclass
Aryl thioethers
- Level 5 Diarylthioethers
-
Subclass
Aryl thioethers
-
Class
Thioethers
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylthioethers
Alternative Parents
Methoxyanilines Phenoxy compounds Anisoles Nitroimidazoles Nitroaromatic compounds Methoxybenzenes 2-amino-5-substituted-1,3,4-thiadiazoles Alkyl aryl ethers N-substituted imidazoles Imidolactams Heteroaromatic compounds Sulfenyl compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diarylthioether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Nitroimidazole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Imidazole - Thiadiazole - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors
Not available