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=c1c(-c2ccccc2)c(SCc2cccnc2)oc2cc(O)ccc12

InChI InChI=1S/C21H15NO3S/c23-16-8-9-17-18(11-16)25-21(26-13-14-5-4-10-22-12-14)19(20(17)24)15-6-2-1-3-7-15/h1-12,23H,13H2

InChIKey UMNZDARZMIOOHP-UHFFFAOYSA-N

Molecular Weight

361.42