Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H17N5OS/c1-18(8-2-3-13-14(18)12(9-19)15(21)25-13)17-22-16(23-24-17)10-4-6-11(20)7-5-10/h4-7H,2-3,8,20-21H2,1H3/t18-/m0/s1 |
InChIKey | InChI | 1.06 | OTYSTCZFARVMKT-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(CCCc2sc(N)c(C#N)c12)c3onc(n3)c4ccc(N)cc4 |
SMILES | CACTVS | 3.385 | C[C]1(CCCc2sc(N)c(C#N)c12)c3onc(n3)c4ccc(N)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]1(CCCc2c1c(c(s2)N)C#N)c3nc(no3)c4ccc(cc4)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCCc2c1c(c(s2)N)C#N)c3nc(no3)c4ccc(cc4)N |