HQF
Summary
| Name: | 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid |
| Formula: | C12 H10 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 274.298 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H10N4O2S/c13-12-15-8-2-1-7(5-9(8)19-12)6-16-4-3-14-10(16)11(17)18/h1-5H,6H2,(H2,13,15)(H,17,18) |
| InChIKey | InChI | 1.03 | AKDVYGWISHGCBY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(Cn3ccnc3C(O)=O)ccc2n1 |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(Cn3ccnc3C(O)=O)ccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N |
