Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(c2cc(c(C1(C)CS(N(\C(=N)N1)C)(=O)=O)s2)Cl)cc(C#CC)cnc3 |
InChI | InChI | 1.03 | InChI=1S/C17H17ClN4O2S2/c1-4-5-11-6-12(9-20-8-11)14-7-13(18)15(25-14)17(2)10-26(23,24)22(3)16(19)21-17/h6-9H,10H2,1-3H3,(H2,19,21)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | VKVMIZCLMUKTTA-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC#Cc1cncc(c1)c2sc(c(Cl)c2)[C@]3(C)C[S](=O)(=O)N(C)C(=N)N3 |
SMILES | CACTVS | 3.385 | CC#Cc1cncc(c1)c2sc(c(Cl)c2)[C]3(C)C[S](=O)(=O)N(C)C(=N)N3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | [H]/N=C/1\N[C@](CS(=O)(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl |
SMILES | OpenEye OEToolkits | 2.0.4 | CC#Cc1cc(cnc1)c2cc(c(s2)C3(CS(=O)(=O)N(C(=N)N3)C)C)Cl |