Compound Identification
SMILES
COC1=CC=C(NC(=S)SC2=C(C=C(C=C2)C#N)[N+]([O-])=O)C=C1
InChIKey
InChIKey=FIWVRHLWVWGHLG-UHFFFAOYSA-N
Formula
C15H11N3O3S2
Mass
345.39
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
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Methoxyanilines Phenoxy compounds Anisoles Aryl thioethers Nitroaromatic compounds Methoxybenzenes Benzonitriles Alkyl aryl ethers Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Methoxyaniline - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Cyanide - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Aromatic homomonocyclic 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