92U
Summary
| Name: | [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone |
| Formula: | C15 H18 N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 350.393 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H18N4O4S/c1-4-18-12-7-6-10(8-13(12)19(5-2)24(18,22)23)14(20)11-9-16-17(3)15(11)21/h6-9,21H,4-5H2,1-3H3 |
| InChIKey | InChI | 1.03 | QVDQRUFZWCVKJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1c2ccc(cc2N(CC)[S]1(=O)=O)C(=O)c3cnn(C)c3O |
| SMILES | CACTVS | 3.385 | CCN1c2ccc(cc2N(CC)[S]1(=O)=O)C(=O)c3cnn(C)c3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN1c2ccc(cc2N(S1(=O)=O)CC)C(=O)c3cnn(c3O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCN1c2ccc(cc2N(S1(=O)=O)CC)C(=O)c3cnn(c3O)C |
