Compound Identification
SMILES
OC1=CSC2N1C=CC=C2NC1=NC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=QPLTUTSMCAHULW-UHFFFAOYSA-N
Formula
C12H10N4O3S
Mass
290.3
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic 1,3-dipolar compounds
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Class
Allyl-type 1,3-dipolar organic compounds
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Subclass
Organic nitro compounds
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Level 5
C-nitro compounds
- Level 6 Nitroaromatic compounds
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Level 5
C-nitro compounds
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Subclass
Organic nitro compounds
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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
Aminopyridines and derivatives Secondary alkylarylamines Dihydropyridines Imidolactams Thiazolines Heteroaromatic compounds Thioenol ethers Alkanolamines Thiohemiaminal derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Enamines Organic oxoazanium compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organopnictogen compounds Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitroaromatic compound - Aminopyridine - Dihydropyridine - Secondary aliphatic/aromatic amine - Pyridine - Imidolactam - Meta-thiazoline - Heteroaromatic compound - Thioenolether - Alkanolamine - Enamine - Organic oxoazanium - Secondary amine - Azacycle - Hemithioaminal - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic 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