Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(N(CCOC1)c3cc(C2(CC2)S(N)(=N)=O)nc(n3)SC)C |
InChI | InChI | 1.03 | InChI=1S/C13H21N5O2S2/c1-9-8-20-6-5-18(9)11-7-10(16-12(17-11)21-2)13(3-4-13)22(14,15)19/h7,9H,3-6,8H2,1-2H3,(H3,14,15,19)/t9-/m1/s1 |
InChIKey | InChI | 1.03 | XGFQEZBAAOLAMH-SECBINFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CSc1nc(cc(n1)C2(CC2)[S@](N)(=N)=O)N3CCOC[C@H]3C |
SMILES | CACTVS | 3.385 | CSc1nc(cc(n1)C2(CC2)[S](N)(=N)=O)N3CCOC[CH]3C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)S(=N)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1COCCN1c2cc(nc(n2)SC)C3(CC3)S(=N)(=O)N |