U7W
Summary
| Name: | 2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone |
| Formula: | C16 H16 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 312.389 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4OS/c1-11-12-7-9-22-15(12)6-8-19(11)16(21)10-20-14-5-3-2-4-13(14)17-18-20/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | IIZZXFYIZNJNIS-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1N(CCc2sccc12)C(=O)Cn3nnc4ccccc34 |
| SMILES | CACTVS | 3.385 | C[CH]1N(CCc2sccc12)C(=O)Cn3nnc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1c2ccsc2CCN1C(=O)Cn3c4ccccc4nn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1c2ccsc2CCN1C(=O)Cn3c4ccccc4nn3 |
