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 Cc1ccc(N2C(=O)CSC2c2ccc3cccc(O)c3n2)cc1

InChI InChI=1S/C19H16N2O2S/c1-12-5-8-14(9-6-12)21-17(23)11-24-19(21)15-10-7-13-3-2-4-16(22)18(13)20-15/h2-10,19,22H,11H2,1H3

InChIKey QRGBMRPZQCAMCK-UHFFFAOYSA-N

Molecular Weight

336.42