YGG
Summary
| Name: | 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole |
| Formula: | C10 H11 N3 S |
| Formal charge: | 0 |
| Formula weight: | 205.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole |
| OpenEye OEToolkits | 2.0.7 | 5-(2-phenylethylsulfanyl)-1~{H}-1,2,3-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CSc1cnn[NH]1)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3S/c1-2-4-9(5-3-1)6-7-14-10-8-11-13-12-10/h1-5,8H,6-7H2,(H,11,12,13) |
| InChIKey | InChI | 1.03 | VBWBLNPQHDWYMJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(Cc1ccccc1)Sc2[nH]nnc2 |
| SMILES | CACTVS | 3.385 | C(Cc1ccccc1)Sc2[nH]nnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCSc2cnn[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCSc2cnn[nH]2 |
