| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=1(NC(=O)C=C(N=1)c2ccccc2)SCCC(NO)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O3S/c17-11(16-19)6-7-20-13-14-10(8-12(18)15-13)9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H,16,17)(H,14,15,18) |
| InChIKey | InChI | 1.03 | WNPFBIDOQFZHQF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)CCSC1=NC(=CC(=O)N1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | ONC(=O)CCSC1=NC(=CC(=O)N1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=CC(=O)NC(=N2)SCCC(=O)NO |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=CC(=O)NC(=N2)SCCC(=O)NO |
