Compound Identification
SMILES
[O-][N+](=O)C1=C(SC2=NC=NN2)C=CC(=C1)C(=O)NCCN1C(=O)SC(=CC2=CC=C(F)C=C2)C1=O
InChIKey
InChIKey=AJTOPGNTZWIRDA-UHFFFAOYSA-N
Formula
C21H15FN6O5S2
Mass
514.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
-
Subclass
Aryl thioethers
- Level 5 Diarylthioethers
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Subclass
Aryl thioethers
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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
P-sulfanylbenzoic acids and derivatives Benzamides Nitrobenzenes Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Thiazolidinediones Fluorobenzenes Aryl fluorides Triazoles Dicarboximides Heteroaromatic compounds Thiocarbamic acid derivatives Secondary carboxylic acid amides Organic carbonic acids and derivatives Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organofluorides Organonitrogen compounds Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diarylthioether - P-sulfanylbenzoic acid or derivatives - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Thiophenol ether - Nitroaromatic compound - Benzoyl - Thiazolidinedione - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Thiazolidine - 1,2,4-triazole - Heteroaromatic compound - Dicarboximide - Organic nitro compound - Carboxamide group - C-nitro compound - Carbonic acid derivative - Secondary carboxylic acid amide - Thiocarbamic acid derivative - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organofluoride - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organopnictogen compound - Organohalogen compound - 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