Compound Identification
SMILES
CC1=CC=C(SC2=NC=NC(NNC(=O)C3=CC=C(Cl)C=C3)=C2[N+]([O-])=O)C=C1
InChIKey
InChIKey=FSFUSVUSLOWILL-UHFFFAOYSA-N
Formula
C18H14ClN5O3S
Mass
415.85
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
4-halobenzoic acids and derivatives Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Toluenes Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Imidolactams Heteroaromatic compounds Carboxylic acid hydrazides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic salts Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diarylthioether - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Thiophenol ether - Chlorobenzene - Halobenzene - Toluene - Imidolactam - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Pyrimidine - Aryl halide - Heteroaromatic compound - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Organic zwitterion - Organic oxygen compound - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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