Compound Identification
SMILES
NC(N)=Nc1nc(CSCCNc2nc(Cl)ccc2[N+]([O-])=O)cs1
InChIKey
InChIKey=NRHKGRJMKHXIQY-UHFFFAOYSA-N
Formula
C12H14ClN7O2S2
Mass
387.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic 1,3-dipolar compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Subclass
Organic nitro compounds
-
Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
-
Level 5
C-nitro compounds
-
Subclass
Organic nitro compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
2,4-disubstituted thiazoles 2-halopyridines Aminopyridines and derivatives Aryl chlorides Imidolactams Heteroaromatic compounds Guanidines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Dialkylthioethers Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Amines Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Aminopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Guanidine - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Thioether - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Dialkylthioether - Organosulfur compound - Organonitrogen compound - Organochloride - Amine - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organopnictogen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available