A1ARV
Summary
| Name: | (1H-indol-4-yl)methanol |
| Formula: | C9 H9 N O S |
| Formal charge: | 0 |
| Formula weight: | 179.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (R)-(1H-indol-4-yl)(sulfanyl)methanol |
| OpenEye OEToolkits | 2.0.7 | (~{R})-1~{H}-indol-4-yl(sulfanyl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(S)c1cccc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C9H9NOS/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,9-12H/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | IKCBAJPNSFJNFK-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](S)c1cccc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | O[CH](S)c1cccc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc[nH]c2c1)[C@H](O)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc[nH]c2c1)C(O)S |
