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=C(Cc1ccccc1)n1sc2ccccc2c1=O

InChI InChI=1S/C15H11NO2S/c17-14(10-11-6-2-1-3-7-11)16-15(18)12-8-4-5-9-13(12)19-16/h1-9H,10H2

InChIKey MIRPJNSLZMOWQE-UHFFFAOYSA-N

Molecular Weight

269.32