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 CSc1sc(C(=N)N)cc1S(=O)(=O)c1ccccc1

InChI InChI=1S/C12H12N2O2S3/c1-17-12-10(7-9(18-12)11(13)14)19(15,16)8-5-3-2-4-6-8/h2-7H,1H3,(H3,13,14)

InChIKey QYFIZVJCBMQDSR-UHFFFAOYSA-N

Molecular Weight

312.44