A1CPD
Summary
| Name: | 2-{[(R)-methanesulfinyl]methyl}-1H-1,3-benzimidazole |
| Formula: | C9 H10 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 194.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-{[(R)-methanesulfinyl]methyl}-1H-1,3-benzimidazole |
| OpenEye OEToolkits | 3.1.0.0 | 2-(methylsulfinylmethyl)-1~{H}-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CS(=O)Cc1nc2ccccc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C9H10N2OS/c1-13(12)6-9-10-7-4-2-3-5-8(7)11-9/h2-5H,6H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | KFWSAAWSYLYZHT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S@@](=O)Cc1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.385 | C[S](=O)Cc1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CS(=O)Cc1[nH]c2ccccc2n1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CS(=O)Cc1[nH]c2ccccc2n1 |
