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(C(=O)Nc2sc3c(c2C(N)=O)CCNC3)s1

InChI

InChI=1S/C14H15N3O2S2/c1-7-2-3-9(20-7)13(19)17-14-11(12(15)18)8-4-5-16-6-10(8)21-14/h2-3,16H,4-6H2,1H3,(H2,15,18)(H,17,19)

InChIKey RQKSBVJTEYGKFN-UHFFFAOYSA-N

Molecular Weight

321.43