A1A5J
Summary
| Name: | 2-[2-(6-methyl-4-oxothieno[2,3-d][1,2,3]triazin-3(4H)-yl)ethyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione |
| Formula: | C15 H12 N4 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 376.41 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-[2-(6-methyl-4-oxothieno[2,3-d][1,2,3]triazin-3(4H)-yl)ethyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione |
| OpenEye OEToolkits | 3.1.0.0 | 6-methyl-3-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl]thieno[2,3-d][1,2,3]triazin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1c2ccccc2S(=O)(=O)N1CCN1N=Nc2sc(C)cc2C1=O |
| InChI | InChI | 1.06 | InChI=1S/C15H12N4O4S2/c1-9-8-11-13(24-9)16-17-18(14(11)20)6-7-19-15(21)10-4-2-3-5-12(10)25(19,22)23/h2-5,8H,6-7H2,1H3 |
| InChIKey | InChI | 1.06 | KWYMAPXXHVBENA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc2N=NN(CCN3C(=O)c4ccccc4[S]3(=O)=O)C(=O)c2c1 |
| SMILES | CACTVS | 3.385 | Cc1sc2N=NN(CCN3C(=O)c4ccccc4[S]3(=O)=O)C(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc2c(s1)N=NN(C2=O)CCN3C(=O)c4ccccc4S3(=O)=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc2c(s1)N=NN(C2=O)CCN3C(=O)c4ccccc4S3(=O)=O |
