YY1
Summary
| Name: | 5-methyl-4H-1,2,4-triazole-3-thiol |
| Formula: | C3 H5 N3 S |
| Formal charge: | 0 |
| Formula weight: | 115.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methyl-4H-1,2,4-triazole-3-thiol |
| OpenEye OEToolkits | 1.9.2 | 5-methyl-4H-1,2,4-triazole-3-thiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Sc1nnc(n1)C |
| InChI | InChI | 1.03 | InChI=1S/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7) |
| InChIKey | InChI | 1.03 | OUZCWDMJTKYHCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(S)nn1 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(S)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1[nH]c(nn1)S |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1[nH]c(nn1)S |
