ESX
Summary
| Name: | BENZO[B]THIOPHENE-2-CARBOXAMIDINE |
| Formula: | C9 H9 N2 S |
| Formal charge: | 1 |
| Formula weight: | 177.246 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | amino(1-benzothiophen-2-yl)methaniminium |
| OpenEye OEToolkits | 1.5.0 | [amino-(1-benzothiophen-2-yl)methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | s2c1ccccc1cc2\C(=[NH2+])N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1sc2ccccc2c1 |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])c1sc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cc(s2)C(=[NH2+])N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cc(s2)C(=[NH2+])N |
| InChI | InChI | 1.03 | InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1 |
| InChIKey | InChI | 1.03 | JZWDLUGQTRKBNA-UHFFFAOYSA-O |
