7SB
Summary
| Name: | N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine |
| Formula: | C13 H11 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 274.706 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine |
| OpenEye OEToolkits | 1.7.6 | N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)CNc2nnc(n2)c3occc3 |
| InChI | InChI | 1.03 | InChI=1S/C13H11ClN4O/c14-10-5-3-9(4-6-10)8-15-13-16-12(17-18-13)11-2-1-7-19-11/h1-7H,8H2,(H2,15,16,17,18) |
| InChIKey | InChI | 1.03 | IRHUOSKJHRHZKH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CNc2n[nH]c(n2)c3occc3)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(CNc2n[nH]c(n2)c3occc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl |
