Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C1=CSC(=N1)C(=O)NCCN1CCOCC1
InChIKey
InChIKey=IFNCRRXKJVQPSE-UHFFFAOYSA-N
Formula
C16H18N4O4S
Mass
362.4
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Thiazolecarboxamides 2-heteroaryl carboxamides Nitroaromatic compounds 2,4-disubstituted thiazoles Morpholines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2-heteroaryl carboxamide - Nitroaromatic compound - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Morpholine - Oxazinane - Azole - Thiazole - Heteroaromatic compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Organic nitro compound - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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