Compound Identification
SMILES
COC1=CC(=C(NC(=S)NC(=O)C2=CC3=C(SC4=CC=CC=C4S3)C=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=JELJSOYOQWYTOS-UHFFFAOYSA-N
Formula
C21H15N3O4S3
Mass
469.55
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodithiins
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Subclass
1,4-benzodithiins
- Level 5 Thianthrenes
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Subclass
1,4-benzodithiins
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Class
Benzodithiins
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodithiins
Subclass
1,4-benzodithiins
Intermediate Tree Nodes
Not available
Direct Parent
Thianthrenes
Alternative Parents
N-acyl-phenylthioureas Diarylthioethers Nitrophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Thioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thianthrene - N-acyl-phenylthiourea - Nitrophenyl ether - Diarylthioether - N-phenylthiourea - Methoxyaniline - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Thiourea - Thioether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organosulfur compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thianthrenes. These are organic compounds containing a thianthrene moiety. Thianthrene is a tricyclic ring system that consists of two benzene rings fused to each other through a 1,4-dithiin ring.
External Descriptors
Not available