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(NC1CCCCC1)n1sc2ccccc2c1=O

InChI InChI=1S/C14H16N2O2S/c17-13-11-8-4-5-9-12(11)19-16(13)14(18)15-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,18)

InChIKey RKWFXGMZMVVMPN-UHFFFAOYSA-N

Molecular Weight

276.36