Compound Identification
SMILES
CC1=NC=C(N1CCSC(N)=O)[N+]([O-])=O
InChIKey
InChIKey=BPFUDPJHWFTUSU-UHFFFAOYSA-N
Formula
C7H10N4O3S
Mass
230.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Imidazoles
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Level 5
Substituted imidazoles
- Level 6 Nitroimidazoles
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Level 5
Substituted imidazoles
-
Subclass
Imidazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Nitroimidazoles
Alternative Parents
1,2,5-trisubstituted imidazoles Nitroaromatic compounds N-substituted imidazoles Heteroaromatic compounds Thiocarbamic acid derivatives Organic carbonic acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Nitroimidazole - Trisubstituted imidazole - N-substituted imidazole - Heteroaromatic compound - C-nitro compound - Carbonic acid derivative - Thiocarbamic acid derivative - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic zwitterion - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro group.
External Descriptors
Not available