Compound Identification
SMILES
CC1=C2N=CC=C(Cl)[C@@]22CSC=C3C=CC=CC3=C2S1
InChIKey
InChIKey=RFYNTFYXHMLZMX-INIZCTEOSA-N
Formula
C16H12ClNS2
Mass
317.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Benzenoids Dihydrothiophenes Thioenol ethers Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Azacyclic compounds Organochlorides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Benzenoid - 2,3-dihydrothiophene - Thioenolether - Azacycle - Vinyl chloride - Vinyl halide - Chloroalkene - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Haloalkene - Organic nitrogen compound - Hydrocarbon derivative - Imine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available