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 N#CSCCCCN1C(=O)C(=O)c2cc(Br)cc(Br)c21

InChI InChI=1S/C13H10Br2N2O2S/c14-8-5-9-11(10(15)6-8)17(13(19)12(9)18)3-1-2-4-20-7-16/h5-6H,1-4H2

InChIKey FCMFFKRRYKGMFU-UHFFFAOYSA-N

Molecular Weight

418.11