Compound Identification
SMILES
CNC(NCCSCC1=CC=C(C[N+](C)(C)[O-])O1)=C[N+]([O-])=O
InChIKey
InChIKey=DFJVUWAHTQPQCV-UHFFFAOYSA-N
Formula
C13H22N4O4S
Mass
330.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Heteroaromatic compounds
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Heteroaromatic compounds
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Heteroaromatic compounds
Alternative Parents
Trialkyl amine oxides Furans C-nitro compounds Trisubstituted amine oxides and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkylthioethers Dialkylamines Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Heteroaromatic compound - Trialkyl amine oxide - Furan - Organic nitro compound - C-nitro compound - Organic oxoazanium - N-oxide - Oxacycle - Thioether - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Sulfenyl compound - Secondary aliphatic amine - Trisubstituted n-oxide - Organic nitrogen compound - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
External Descriptors
CHEBI:83498 : C-nitro compound - furans - N-oxide