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 CC(Cn1sc2ccccc2c1=O)n1sc2ccccc2c1=O

InChI InChI=1S/C17H14N2O2S2/c1-11(19-17(21)13-7-3-5-9-15(13)23-19)10-18-16(20)12-6-2-4-8-14(12)22-18/h2-9,11H,10H2,1H3

InChIKey YRNQFVHMJLDVJI-UHFFFAOYSA-N

Molecular Weight

342.45