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 CCCCN1C(=O)/C(=C/C=C/c2ccco2)C(=O)NC1=S

InChI

InChI=1S/C15H16N2O3S/c1-2-3-9-17-14(19)12(13(18)16-15(17)21)8-4-6-11-7-5-10-20-11/h4-8,10H,2-3,9H2,1H3,(H,16,18,21)/b6-4+,12-8+

InChIKey SULBKQYHOFOKGZ-RZYXTZOYSA-N

Molecular Weight

304.37