L13
Summary
| Name: | 4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE |
| Formula: | C9 H10 N4 S |
| Formal charge: | 0 |
| Formula weight: | 206.267 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-amino-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| OpenEye OEToolkits | 1.5.0 | 4-amino-5-(2-methylphenyl)-2H-1,2,4-triazole-3-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=C1N(N)C(=NN1)c2c(cccc2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccccc1C2=NNC(=S)N2N |
| SMILES | CACTVS | 3.341 | Cc1ccccc1C2=NNC(=S)N2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1C2=NNC(=S)N2N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1C2=NNC(=S)N2N |
| InChI | InChI | 1.03 | InChI=1S/C9H10N4S/c1-6-4-2-3-5-7(6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14) |
| InChIKey | InChI | 1.03 | CUEYNOAJNUCBAP-UHFFFAOYSA-N |
