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 COc1cc(/C=C2\S/C(=N\N(C)C)N(c3ccccc3)C2=O)ccc1O

InChI

InChI=1S/C19H19N3O3S/c1-21(2)20-19-22(14-7-5-4-6-8-14)18(24)17(26-19)12-13-9-10-15(23)16(11-13)25-3/h4-12,23H,1-3H3/b17-12-,20-19-

InChIKey MOMQOICCWYRKEU-QTBWCZOLSA-N

Molecular Weight

369.45