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 CSc1ccc(/C=C2\SC(=O)N(C(C(=O)C3CC3)c3ccccc3F)C2=O)cc1

InChI

InChI=1S/C22H18FNO3S2/c1-28-15-10-6-13(7-11-15)12-18-21(26)24(22(27)29-18)19(20(25)14-8-9-14)16-4-2-3-5-17(16)23/h2-7,10-12,14,19H,8-9H2,1H3/b18-12-

InChIKey VIYSGPOROWJDKE-PDGQHHTCSA-N

Molecular Weight

427.52