Compound Identification
SMILES
CC1=CC(C2=CSC(NC(=O)C3=CC=C(S3)[N+]([O-])=O)=N2)=C(C)C=C1
InChIKey
InChIKey=ADBJJPMRFWLBOK-UHFFFAOYSA-N
Formula
C16H13N3O3S2
Mass
359.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Nitrothiophenes
- Level 5 2-nitrothiophenes
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Subclass
Nitrothiophenes
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Class
Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Nitrothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
2-nitrothiophenes
Alternative Parents
p-Xylenes Thiophene carboxamides 2-heteroaryl carboxamides Nitroaromatic compounds 2,4-disubstituted thiazoles 2,5-disubstituted thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organooxygen compounds Organic salts Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-nitrothiophene - 2-heteroaryl carboxamide - Nitroaromatic compound - P-xylene - Xylene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 2-position.
External Descriptors
Not available