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 CC1(C)OC(S)=Nc2ccc(-c3csc(C#N)c3)cc21

InChI InChI=1S/C15H12N2OS2/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(19)18-15/h3-6,8H,1-2H3,(H,17,19)

InChIKey UCEMKOZZXFXATD-UHFFFAOYSA-N

Molecular Weight

300.41