N8Q
Summary
| Name: | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione |
| Formula: | C12 H14 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 262.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4OS/c18-12-15-14-11(9-3-1-5-13-7-9)16(12)8-10-4-2-6-17-10/h1,3,5,7,10H,2,4,6,8H2,(H,15,18)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | UPESTZWCQNGAJI-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S=C1NN=C(N1C[C@@H]2CCCO2)c3cccnc3 |
| SMILES | CACTVS | 3.385 | S=C1NN=C(N1C[CH]2CCCO2)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C2=NNC(=S)N2C[C@@H]3CCCO3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C2=NNC(=S)N2CC3CCCO3 |
