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 Cn1c(S)nc2cc(Cl)ccc21

InChI InChI=1S/C8H7ClN2S/c1-11-7-3-2-5(9)4-6(7)10-8(11)12/h2-4H,1H3,(H,10,12)

InChIKey WLOTVFRYXAJOSM-UHFFFAOYSA-N

Molecular Weight

198.68