Compound Identification
SMILES
[O-][N+](=O)C1=CC(=C(NN=C2CSC3CCCCC3C3=CC=CC=C23)C=C1)[N+]([O-])=O
InChIKey
InChIKey=MNSQHLWZCNELEF-UHFFFAOYSA-N
Formula
C20H20N4O4S
Mass
412.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Nitrobenzenes Phenylhydrazines Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Dialkylthioethers Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Hydrazone - Dialkylthioether - Organic oxoazanium - Thioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available