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 Cc1csc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)n1

InChI

InChI=1S/C22H20N2OS/c1-13-12-26-21(23-13)24-20(25)22(2)11-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-10,12,18-19H,11H2,1-2H3,(H,23,24,25)

InChIKey XWVYWIMKFIEORA-UHFFFAOYSA-N

Molecular Weight

360.48