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 c1ccc(C2(c3ccccc3)Sc3ccccc3-n3cccc32)cc1

InChI InChI=1S/C23H17NS/c1-3-10-18(11-4-1)23(19-12-5-2-6-13-19)22-16-9-17-24(22)20-14-7-8-15-21(20)25-23/h1-17H

InChIKey ZBNHISGECXNIIA-UHFFFAOYSA-N

Molecular Weight

339.46