L3B
Summary
| Name: | 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione |
| Formula: | C9 H7 N3 S |
| Formal charge: | 0 |
| Formula weight: | 189.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione |
| OpenEye OEToolkits | 1.9.2 | 5-(2-methylphenyl)-1,2,4-triazole-3-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1N=NC(=N1)c2ccccc2C |
| InChI | InChI | 1.03 | InChI=1S/C9H7N3S/c1-6-4-2-3-5-7(6)8-10-9(13)12-11-8/h2-5H,1H3 |
| InChIKey | InChI | 1.03 | DEADBTNDSDWXDC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1C2=NC(=S)N=N2 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1C2=NC(=S)N=N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccccc1C2=NC(=S)N=N2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccccc1C2=NC(=S)N=N2 |
