KLB
Summary
| Name: | 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide |
| Formula: | C14 H12 N4 S |
| Formal charge: | 0 |
| Formula weight: | 268.337 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4S/c15-14(16)12-6-10(9-4-2-1-3-5-9)13(19-12)11-7-17-8-18-11/h1-8H,(H3,15,16)(H,17,18) |
| InChIKey | InChI | 1.03 | FXABOLLAJZFHEL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1sc(c2[nH]cnc2)c(c1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | NC(=N)c1sc(c2[nH]cnc2)c(c1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1cc(c(s1)c2cnc[nH]2)c3ccccc3)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(sc2c3cnc[nH]3)C(=N)N |
