Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES CNCc1cc(CCCCN2CCSCC2)ccc1Oc1ccc(SC)cc1

InChI

InChI=1S/C23H32N2OS2/c1-24-18-20-17-19(5-3-4-12-25-13-15-28-16-14-25)6-11-23(20)26-21-7-9-22(27-2)10-8-21/h6-11,17,24H,3-5,12-16,18H2,1-2H3

InChIKey JVYJGMIWWGWCJQ-UHFFFAOYSA-N

Molecular Weight

416.66