A1LW3
Summary
| Name: | [3-ethyl-1-methyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone |
| Formula: | C14 H16 N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 336.366 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-ethyl-1-methyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H16N4O4S/c1-4-18-12-7-9(5-6-11(12)17(3)23(18,21)22)13(19)10-8-15-16(2)14(10)20/h5-8,20H,4H2,1-3H3 |
| InChIKey | InChI | 1.06 | RFXPRTZJOLHGIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1c2cc(ccc2N(C)[S]1(=O)=O)C(=O)c3cnn(C)c3O |
| SMILES | CACTVS | 3.385 | CCN1c2cc(ccc2N(C)[S]1(=O)=O)C(=O)c3cnn(C)c3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1c2cc(ccc2N(S1(=O)=O)C)C(=O)c3cnn(c3O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1c2cc(ccc2N(S1(=O)=O)C)C(=O)c3cnn(c3O)C |
