KFQ
Summary
| Name: | 1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one |
| Formula: | C9 H6 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 218.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one |
| OpenEye OEToolkits | 1.7.6 | 1-sulfanyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3Nc1c(cccc1)n2c3nnc2S |
| InChI | InChI | 1.03 | InChI=1S/C9H6N4OS/c14-8-7-11-12-9(15)13(7)6-4-2-1-3-5(6)10-8/h1-4H,(H,10,14)(H,12,15) |
| InChIKey | InChI | 1.03 | WDUVQRMZWGBWJS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Sc1nnc2n1c3ccccc3NC2=O |
| SMILES | CACTVS | 3.370 | Sc1nnc2n1c3ccccc3NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc-2c(c1)NC(=O)c3n2c(nn3)S |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc-2c(c1)NC(=O)c3n2c(nn3)S |
