Compound Identification
SMILES
O=C1NC2(CCSCC2)NN1C1=CC=CC=C1
InChIKey
InChIKey=XSRPQLBBBYVBTF-UHFFFAOYSA-N
Formula
C12H15N3OS
Mass
249.33
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
Benzene and substituted derivatives Triazolidinones Semicarbazides Dialkylthioethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Monocyclic benzene moiety - Thiane - Benzenoid - Semicarbazide - Triazolidine - 1,2,4-triazolidinone - Thioether - Azacycle - Dialkylthioether - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic 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