N6N
Summary
| Name: | 3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione |
| Formula: | C8 H6 Br N3 S |
| Formal charge: | 0 |
| Formula weight: | 256.122 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13) |
| InChIKey | InChI | 1.06 | ALETZOQAGIEADS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc(c1)C2=NNC(=S)N2 |
| SMILES | CACTVS | 3.385 | Brc1cccc(c1)C2=NNC(=S)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)C2=NNC(=S)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)C2=NNC(=S)N2 |
