| PDB CCD ID: | LDJ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H15 N3 O2 S |
| InChI: | 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: | UBZAQRIGLKOVAH-ZETCQYMHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)C(=O)N=C1NN=C(S1)[CH]2CCCO2 | | OpenEye OEToolkits 2.0.6 | CC(C)C(=O)N=C1NN=C(S1)C2CCCO2 | | ACDLabs 12.01 | N(/C(C(C)C)=O)=C2\NN=C(C1OCCC1)S2 | | OpenEye OEToolkits 2.0.6 | CC(C)C(=O)/N=C\1/NN=C(S1)[C@@H]2CCCO2 | | CACTVS 3.385 | CC(C)C(=O)N=C1NN=C(S1)[C@@H]2CCCO2 |
|
| Name: | 2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide |
| ZINC: | ZINC000000150322 |
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