Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H17F2N3OS/c1-8-14(9(2)22-21-8)13-7-16(3,20-15(19)23-13)11-5-4-10(17)6-12(11)18/h4-6,13H,7H2,1-3H3,(H2,19,20)/t13-,16-/m0/s1 |
InChIKey | InChI | 1.03 | XCTPNVXKKHOANI-BBRMVZONSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1[C@@H]2C[C@](C)(N=C(N)S2)c3ccc(F)cc3F |
SMILES | CACTVS | 3.385 | Cc1onc(C)c1[CH]2C[C](C)(N=C(N)S2)c3ccc(F)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3ccc(cc3F)F |
SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c(c(on1)C)C2CC(N=C(S2)N)(C)c3ccc(cc3F)F |