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 O=c1c2ccccc2sn1-c1ccccc1-n1sc2ccccc2c1=O

InChI InChI=1S/C20H12N2O2S2/c23-19-13-7-1-5-11-17(13)25-21(19)15-9-3-4-10-16(15)22-20(24)14-8-2-6-12-18(14)26-22/h1-12H

InChIKey WQKMCUICYOFZCD-UHFFFAOYSA-N

Molecular Weight

376.46