DW9
Summary
| Name: | 2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol |
| Formula: | C14 H10 N4 O2 S4 |
| Formal charge: | 0 |
| Formula weight: | 394.515 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H10N4O2S4/c15-13-17-11-7(19)1-5(3-9(11)21-13)23-24-6-2-8(20)12-10(4-6)22-14(16)18-12/h1-4,19-20H,(H2,15,17)(H2,16,18) |
| InChIKey | InChI | 1.03 | XDXRDEHCMLKIGN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(SSc3cc(O)c4nc(N)sc4c3)cc(O)c2n1 |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(SSc3cc(O)c4nc(N)sc4c3)cc(O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc2c(c1O)nc(s2)N)SSc3cc(c4c(c3)sc(n4)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc2c(c1O)nc(s2)N)SSc3cc(c4c(c3)sc(n4)N)O |
