A1CVW
Summary
| Name: | (5R)-5-methyl-6-(thiophen-2-yl)-4,5-dihydropyridazin-3(2H)-one |
| Formula: | C9 H10 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 194.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (5R)-5-methyl-6-(thiophen-2-yl)-4,5-dihydropyridazin-3(2H)-one |
| OpenEye OEToolkits | 3.1.0.0 | (4~{R})-4-methyl-3-thiophen-2-yl-4,5-dihydro-1~{H}-pyridazin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC1CC(=O)NN=C1c1cccs1 |
| InChI | InChI | 1.06 | InChI=1S/C9H10N2OS/c1-6-5-8(12)10-11-9(6)7-3-2-4-13-7/h2-4,6H,5H2,1H3,(H,10,12)/t6-/m1/s1 |
| InChIKey | InChI | 1.06 | BOCCVGZLBZVNLV-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC(=O)NN=C1c2sccc2 |
| SMILES | CACTVS | 3.385 | C[CH]1CC(=O)NN=C1c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H]1CC(=O)NN=C1c2cccs2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CC(=O)NN=C1c2cccs2 |
