Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3c(c1c(n(c(c1)C)CC2OCCC2)C)csc3N |
InChI | InChI | 1.03 | InChI=1S/C14H19N3OS/c1-9-6-12(13-8-19-14(15)16-13)10(2)17(9)7-11-4-3-5-18-11/h6,8,11H,3-5,7H2,1-2H3,(H2,15,16)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | IUSOSUNODUAXAY-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(c(C)n1C[C@H]2CCCO2)c3csc(N)n3 |
SMILES | CACTVS | 3.385 | Cc1cc(c(C)n1C[CH]2CCCO2)c3csc(N)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(n1C[C@H]2CCCO2)C)c3csc(n3)N |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)N |