2-methyl-3-[[(2S,4R)-4-sulfanyloxolan-2-yl]methylsulfanyl]-1,2,4-triazinane-5,6-dione

Systemtic Name: 2-methyl-3-[[(2S,4R)-4-sulfanyloxolan-2-yl]methylsulfanyl]-1,2,4-triazinane-5,6-dione Openeye Name: 2-methyl-3-[[(2S,4R)-4-sulfanyltetrahydrofuran-2-yl]methylsulfanyl]-1,2,4-triazinane-5,6-dione CAS Name: 3-[[(2S,4R)-4-mercapto-2-oxolanyl]methylthio]-2-methyl-1,2,4-triazinane-5,6-dione IUPAC Name: 2-methyl-3-[[(2S,4R)-4-sulfanyloxolan-2-yl]methylsulfanyl]-1,2,4-triazinane-5,6-dione Traditional Name: 3-[[(2S,4R)-4-mercaptotetrahydrofuran-2-yl]methylthio]-2-methyl-1,2,4-triazinane-5,6-quinone Formula: C9H15N3O3S2 MolecularWeight: 277.3637

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(NC(=O)C(=O)N1)SCC2CC(CO2)S

Isomeric SMILES

CN1C(NC(=O)C(=O)N1)SC[C@@H]2C[C@H](CO2)S

InChI

InChI=1S/C9H15N3O3S2/c1-12-9(10-7(13)8(14)11-12)17-4-5-2-6(16)3-15-5/h5-6,9,16H,2-4H2,1H3,(H,10,13)(H,11,14)/t5-,6+,9?/m0/s1