Compound Identification
SMILES
CN1C(=S)NC(=O)C(=CC2=C(C)N(C(C)=C2)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C1=O
InChIKey
InChIKey=UAKTUICKUDCXHI-UHFFFAOYSA-N
Formula
C18H15ClN4O4S
Mass
418.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
-
Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Thiobarbituric acid derivatives Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Diazinanes Aryl chlorides Heteroaromatic compounds Thioureas Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Nitrobenzene - Thiobarbiturate - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Aryl chloride - Benzenoid - Heteroaromatic compound - Organic nitro compound - Thiourea - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available