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)c1cccs1

InChI InChI=1S/C10H10N2O2S4/c1-15-10-7(5-6(17-10)9(11)12)18(13,14)8-3-2-4-16-8/h2-5H,1H3,(H3,11,12)

InChIKey BDJWYLZYTHRBQR-UHFFFAOYSA-N

Molecular Weight

318.47