Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N(N=Cc3c1n(c2cc(sc23)S(=O)C)C)Cc4cccc(N)c4 |
InChI | InChI | 1.03 | InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3/t25-/m1/s1 |
InChIKey | InChI | 1.03 | ZWKJWVSEDISQIS-RUZDIDTESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cn1c2cc(sc2c3C=NN(Cc4cccc(N)c4)C(=O)c13)[S@@](C)=O |
SMILES | CACTVS | 3.370 | Cn1c2cc(sc2c3C=NN(Cc4cccc(N)c4)C(=O)c13)[S](C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)[S@](=O)C |
SMILES | OpenEye OEToolkits | 1.7.2 | Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)S(=O)C |