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=C(N)NNS(=O)(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O

InChI InChI=1S/C8H6Br4N4O4S/c9-2-1(7(17)18)6(5(12)4(11)3(2)10)21(19,20)16-15-8(13)14/h16H,(H,17,18)(H4,13,14,15)

InChIKey PPUSFIIKTSRZNO-UHFFFAOYSA-N

Molecular Weight

573.84