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 Nc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(N)(=O)=O

InChI

InChI=1S/C19H15N5O2S/c20-19-18(27(21,25)26)10-14(11-24-19)13-1-2-17-16(9-13)15(5-8-23-17)12-3-6-22-7-4-12/h1-11H,(H2,20,24)(H2,21,25,26)

InChIKey ZKVJGNWKPGDONB-UHFFFAOYSA-N

Molecular Weight

377.43