A1BX0
Summary
| Name: | N-[(4-ethenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| Formula: | C10 H10 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 234.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(4-ethenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(4-ethenyl-1,3-thiazol-2-yl)methyl]-1~{H}-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1nc(cs1)C=C)c1cc[NH]n1 |
| InChI | InChI | 1.06 | InChI=1S/C10H10N4OS/c1-2-7-6-16-9(13-7)5-11-10(15)8-3-4-12-14-8/h2-4,6H,1,5H2,(H,11,15)(H,12,14) |
| InChIKey | InChI | 1.06 | MBNCIXDMIHHDPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C=Cc1csc(CNC(=O)c2cc[nH]n2)n1 |
| SMILES | CACTVS | 3.385 | C=Cc1csc(CNC(=O)c2cc[nH]n2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C=Cc1csc(n1)CNC(=O)c2cc[nH]n2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C=Cc1csc(n1)CNC(=O)c2cc[nH]n2 |
