Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NC(SC2=C(N=CN2C)[N+]([O-])=O)=NN1
InChIKey
InChIKey=PYQWYJXOZDKYME-UHFFFAOYSA-N
Formula
C13H12N6O3S
Mass
332.34
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organosulfur compounds
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Class
Thioethers
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Subclass
Aryl thioethers
- Level 5 Diarylthioethers
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Subclass
Aryl thioethers
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Class
Thioethers
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Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylthioethers
Alternative Parents
Phenyl-1,2,4-triazoles Phenoxy compounds Anisoles Nitroimidazoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers N-substituted imidazoles Imidolactams Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Phenyltriazole - Diarylthioether - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Nitroimidazole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Imidolactam - N-substituted imidazole - Triazole - Imidazole - Azole - Heteroaromatic compound - 1,2,4-triazole - C-nitro compound - Organic nitro compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Azacycle - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors
Not available