Compound Identification
SMILES
N=C1SC(=O)C(C#N)(C#N)[C@@H]([C@@H]1C#N)C1=CC=CS1
InChIKey
InChIKey=VYOLSJSHFUBLRX-CBAPKCEASA-N
Formula
C12H6N4OS2
Mass
286.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thianes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thianes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thianes
Alternative Parents
Thiophenes Heteroaromatic compounds Thiolactones Thiocarboxylic acids and derivatives Nitriles Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiane - Thiophene - Heteroaromatic compound - Thiolactone - Carboxylic acid derivative - Carbonitrile - Nitrile - Thiocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thianes. These are heterocyclic compounds containing a saturated six-member ring with five carbon atoms and one sulfur atom.
External Descriptors
Not available