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 CSc1c(SCc2ccccc2)cnn(Cc2ccccc2)c1=O

InChI InChI=1S/C19H18N2OS2/c1-23-18-17(24-14-16-10-6-3-7-11-16)12-20-21(19(18)22)13-15-8-4-2-5-9-15/h2-12H,13-14H2,1H3

InChIKey JKSHCXSJTSFUFD-UHFFFAOYSA-N

Molecular Weight

354.5