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 Cc1ccc(S(=O)(=O)SCc2ccc(C(C)C)cc2)cc1

InChI InChI=1S/C17H20O2S2/c1-13(2)16-8-6-15(7-9-16)12-20-21(18,19)17-10-4-14(3)5-11-17/h4-11,13H,12H2,1-3H3

InChIKey QEPADCWYAPMDGA-UHFFFAOYSA-N

Molecular Weight

320.48