Compound Identification
SMILES
CC1=C(SC(NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)=N1)C1=CSC(NC2=CC=C(C)C=C2)=N1
InChIKey
InChIKey=LINNYWBMZYWEBU-UHFFFAOYSA-N
Formula
C21H17N5O3S2
Mass
451.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Benzamides 2,4,5-trisubstituted thiazoles Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Toluenes 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organooxygen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Nitrobenzene - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Toluene - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Secondary amine - Organic salt - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available