Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CSc1nc(cc(Cl)n1)Nc2cccc(c2C)C |
InChI | InChI | 1.03 | InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18) |
InChIKey | InChI | 1.03 | SZRPDCCEHVWOJX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C |
SMILES | CACTVS | 3.385 | Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl |