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(/C=C1\SC(=S)NC1=O)Nc1cccc(O)c1

InChI InChI=1S/C11H8N2O3S2/c14-7-3-1-2-6(4-7)12-9(15)5-8-10(16)13-11(17)18-8/h1-5,14H,(H,12,15)(H,13,16,17)/b8-5-

InChIKey AIUQGFAQXAHHII-YVMONPNESA-N

Molecular Weight

280.33