Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2c1c(cccc1)C3(SCCN23)c4cccc(c4)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(c1)[C@]23SCCN2C(=O)c4ccccc34 |
SMILES | CACTVS | 3.341 | Cc1cccc(c1)[C]23SCCN2C(=O)c4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)[C@@]23c4ccccc4C(=O)N2CCS3 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)C23c4ccccc4C(=O)N2CCS3 |
InChI | InChI | 1.03 | InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3/t17-/m1/s1 |
InChIKey | InChI | 1.03 | FQVDJZWFSZSGGA-QGZVFWFLSA-N |