N3Q
Summary
| Name: | 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol |
| Formula: | C12 H14 Cl2 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 317.171 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14Cl2N4O2/c13-9-5-8(18(1-3-19)2-4-20)6-10(14)11(9)12-15-7-16-17-12/h5-7,19-20H,1-4H2,(H,15,16,17) |
| InChIKey | InChI | 1.03 | KTFYALGLEDTFHG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCN(CCO)c1cc(Cl)c(c(Cl)c1)c2[nH]cnn2 |
| SMILES | CACTVS | 3.385 | OCCN(CCO)c1cc(Cl)c(c(Cl)c1)c2[nH]cnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1Cl)c2[nH]cnn2)Cl)N(CCO)CCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1Cl)c2[nH]cnn2)Cl)N(CCO)CCO |
