1YO
Summary
| Name: | 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine |
| Formula: | C10 H12 N4 S |
| Formal charge: | 0 |
| Formula weight: | 220.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine |
| OpenEye OEToolkits | 1.7.6 | 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S(c1nncn1N)Cc2ccccc2C |
| InChI | InChI | 1.03 | InChI=1S/C10H12N4S/c1-8-4-2-3-5-9(8)6-15-10-13-12-7-14(10)11/h2-5,7H,6,11H2,1H3 |
| InChIKey | InChI | 1.03 | UVAUEHMNFBWZNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1CSc2nncn2N |
| SMILES | CACTVS | 3.385 | Cc1ccccc1CSc2nncn2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccccc1CSc2nncn2N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccccc1CSc2nncn2N |
