TQH
Summary
| Name: | ~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine |
| Formula: | C12 H12 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 260.315 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N4OS/c1-8-4-5-9(17-8)7-13-12-14-11(15-16-12)10-3-2-6-18-10/h2-6H,7H2,1H3,(H2,13,14,15,16) |
| InChIKey | InChI | 1.03 | BXCLKGCUMNDSFV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(CNc2[nH]c(nn2)c3sccc3)cc1 |
| SMILES | CACTVS | 3.385 | Cc1oc(CNc2[nH]c(nn2)c3sccc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)CNc2[nH]c(nn2)c3cccs3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)CNc2[nH]c(nn2)c3cccs3 |
