Compound Identification
SMILES
CC1=CC(C)=C(C=C1)C1=CSC(=N1)C(=N/NC1=CC=CC=C1[N+]([O-])=O)\C#N
InChIKey
InChIKey=PIKLQXGTALJVNT-KQWNVCNZSA-N
Formula
C19H15N5O2S
Mass
377.42
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
m-Xylenes Phenylhydrazines Nitroaromatic compounds 2,4-disubstituted thiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Hydrazones Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - M-xylene - Xylene - Phenylhydrazine - 2,4-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Hydrazone - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Cyanide - Organic oxide - Organic salt - Organic nitrogen compound - 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