A1DN3
Summary
| Name: | (quinoxalin-2-yl)(thiomorpholin-4-yl)methanone |
| Formula: | C13 H13 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 259.327 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (quinoxalin-2-yl)(thiomorpholin-4-yl)methanone |
| OpenEye OEToolkits | 3.1.0.0 | quinoxalin-2-yl(thiomorpholin-4-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(c1cnc2ccccc2n1)N1CCSCC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H13N3OS/c17-13(16-5-7-18-8-6-16)12-9-14-10-3-1-2-4-11(10)15-12/h1-4,9H,5-8H2 |
| InChIKey | InChI | 1.06 | QAVZRUAJSAZGEL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N1CCSCC1)c2cnc3ccccc3n2 |
| SMILES | CACTVS | 3.385 | O=C(N1CCSCC1)c2cnc3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)ncc(n2)C(=O)N3CCSCC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)ncc(n2)C(=O)N3CCSCC3 |
