A1BCO
Summary
| Name: | 2-methyl-N-{[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl}-1H-pyrrole-3-carboxamide |
| Formula: | C11 H11 N7 O S |
| Formal charge: | 0 |
| Formula weight: | 289.316 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-methyl-N-{[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl}-1H-pyrrole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 2-methyl-~{N}-[[4-(2~{H}-1,2,3,4-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-1~{H}-pyrrole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1nc(cs1)c1n[NH]nn1)c1cc[NH]c1C |
| InChI | InChI | 1.06 | InChI=1S/C11H11N7OS/c1-6-7(2-3-12-6)11(19)13-4-9-14-8(5-20-9)10-15-17-18-16-10/h2-3,5,12H,4H2,1H3,(H,13,19)(H,15,16,17,18) |
| InChIKey | InChI | 1.06 | HRUIIOCTLVUJFH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]ccc1C(=O)NCc2scc(n2)c3n[nH]nn3 |
| SMILES | CACTVS | 3.385 | Cc1[nH]ccc1C(=O)NCc2scc(n2)c3n[nH]nn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(cc[nH]1)C(=O)NCc2nc(cs2)c3n[nH]nn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(cc[nH]1)C(=O)NCc2nc(cs2)c3n[nH]nn3 |
