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 O=C1NC(=S)S/C1=C\c1cc2ccccc2cc1OCc1ccccc1

InChI

InChI=1S/C21H15NO2S2/c23-20-19(26-21(25)22-20)12-17-10-15-8-4-5-9-16(15)11-18(17)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23,25)/b19-12-

InChIKey OFBLVZYXIJAZSY-UNOMPAQXSA-N

Molecular Weight

377.49