IBH
Summary
| Name: | (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide |
| Formula: | C16 H14 F2 N4 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 396.435 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(2,6-difluorophenyl)-N-[(2Z)-5-[(1R)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide |
| OpenEye OEToolkits | 1.7.6 | (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(\N=C1/SC(=NN1)C(O)(c2nc(cs2)C)C)Cc3c(F)cccc3F |
| InChI | InChI | 1.03 | InChI=1S/C16H14F2N4O2S2/c1-8-7-25-13(19-8)16(2,24)14-21-22-15(26-14)20-12(23)6-9-10(17)4-3-5-11(9)18/h3-5,7,24H,6H2,1-2H3,(H,20,22,23)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | LBTQISHPRWJOLN-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1csc(n1)[C@](C)(O)C2=NNC(S2)=NC(=O)Cc3c(F)cccc3F |
| SMILES | CACTVS | 3.370 | Cc1csc(n1)[C](C)(O)C2=NNC(S2)=NC(=O)Cc3c(F)cccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1csc(n1)[C@@](C)(C2=NN/C(=N/C(=O)Cc3c(cccc3F)F)/S2)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1csc(n1)C(C)(C2=NNC(=NC(=O)Cc3c(cccc3F)F)S2)O |
