Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#CC2=C(Oc1nnc(c1C2(c4cc(C#N)cc(c3sc(C(=O)OC)cc3)c4)C(C)C)C)N |
InChI | InChI | 1.03 | InChI=1S/C24H21N5O3S/c1-12(2)24(17(11-26)21(27)32-22-20(24)13(3)28-29-22)16-8-14(10-25)7-15(9-16)18-5-6-19(33-18)23(30)31-4/h5-9,12H,27H2,1-4H3,(H,28,29)/t24-/m0/s1 |
InChIKey | InChI | 1.03 | CTJJXDPGSNOYMV-DEOSSOPVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1sc(cc1)c2cc(cc(c2)[C@@]3(C(C)C)C(=C(N)Oc4n[nH]c(C)c34)C#N)C#N |
SMILES | CACTVS | 3.385 | COC(=O)c1sc(cc1)c2cc(cc(c2)[C]3(C(C)C)C(=C(N)Oc4n[nH]c(C)c34)C#N)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)C(=O)OC)C#N)C(C)C)C#N)N |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)c4ccc(s4)C(=O)OC)C#N)C(C)C)C#N)N |