6N4
Summary
| Name: | 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL |
| Formula: | C9 H10 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 194.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(1H-benzimidazol-2-ylsulfanyl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2OS/c12-5-6-13-9-10-7-3-1-2-4-8(7)11-9/h1-4,12H,5-6H2,(H,10,11) |
| InChIKey | InChI | 1.03 | HFDPECWVRWDXHN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCSc1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.385 | OCCSc1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)SCCO |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)SCCO |
