A1AUZ
Summary
| Name: | N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide |
| Formula: | C12 H9 Cl N4 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 372.807 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(5-chloranyl-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxidanylidene-1,2-oxazole-4-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC=1ONC(=O)C=1S(=O)(=O)Nc1cccc(c1)c1nnsc1Cl |
| InChI | InChI | 1.06 | InChI=1S/C12H9ClN4O4S2/c1-6-10(12(18)15-21-6)23(19,20)16-8-4-2-3-7(5-8)9-11(13)22-17-14-9/h2-5,16H,1H3,(H,15,18) |
| InChIKey | InChI | 1.06 | DQBOCBWXJZVOII-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(C(=O)NO1)[S](=O)(=O)Nc2cccc(c2)c3nnsc3Cl |
| SMILES | CACTVS | 3.385 | CC1=C(C(=O)NO1)[S](=O)(=O)Nc2cccc(c2)c3nnsc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)NO1)S(=O)(=O)Nc2cccc(c2)c3c(snn3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)NO1)S(=O)(=O)Nc2cccc(c2)c3c(snn3)Cl |
