Sketching a structure

Try it for yourself…. 

1.  Firstly, select the benzene ring icon (number 1 in Figure 5 below) and drag it into the editor
2.  Select the five membered ring (2) and while hovering over a bond in the benzene ring, click the mouse to fuse this second ring to the benzene ring
3.  Now select ‘S’ from the left-hand side menu (3) and click the mouse over the right place in the 5-membered ring to swap the carbon for a sulphur
4.  Then select the the double bond icon (4) and add a double bond into the five membered ring to form benzothiophene
5.  Check the ‘discard bond order’ box (highlighted in red) to relax the search criteria
6. Now hit ‘submit’ (arrow) to take you back to the search page. The SMILES string has automatically been filled in for the structure you have drawn

Disclaimer: Sketching Functionality Update Underway. Apologies for any inconvenience caused by intermittent search issues. We’re currently upgrading this feature for a smoother experience.

There are other useful options in the editor tool. For example you can upload a molecule to alter in the editor, which might make it more easy if you want to search for a complex fragment. You can also decide whether you want to search for fragments as part of a ring or optionally to disregard bond order.