LDJ
Summary
| Name: | 2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide |
| Formula: | C10 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 241.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide |
| OpenEye OEToolkits | 2.0.6 | (~{N}~{Z})-2-methyl-~{N}-[5-[(2~{S})-oxolan-2-yl]-3~{H}-1,3,4-thiadiazol-2-ylidene]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(/C(C(C)C)=O)=C2\NN=C(C1OCCC1)S2 |
| InChI | InChI | 1.03 | InChI=1S/C10H15N3O2S/c1-6(2)8(14)11-10-13-12-9(16-10)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3,(H,11,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | UBZAQRIGLKOVAH-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)N=C1NN=C(S1)[C@@H]2CCCO2 |
| SMILES | CACTVS | 3.385 | CC(C)C(=O)N=C1NN=C(S1)[CH]2CCCO2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)C(=O)/N=C\1/NN=C(S1)[C@@H]2CCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C(=O)N=C1NN=C(S1)C2CCCO2 |
