tert-butyl 2-(4-acetamido-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)ethanoate

Systemtic Name: tert-butyl 2-(4-acetamido-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)ethanoate Openeye Name: tert-butyl 2-(4-acetamido-5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)acetate CAS Name: 2-(4-acetamido-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-acetamido-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)acetate Traditional Name: 2-(4-acetamido-5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)acetic acid tert-butyl ester Formula: C11H16N4O4S MolecularWeight: 300.33414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1C(=O)C(=NNC1=S)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NN1C(=O)C(=NNC1=S)CC(=O)OC(C)(C)C

InChI

InChI=1S/C11H16N4O4S/c1-6(16)14-15-9(18)7(12-13-10(15)20)5-8(17)19-11(2,3)4/h5H2,1-4H3,(H,13,20)(H,14,16)