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

Systemtic Name: tert-butyl 3-(4-acetamido-5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoate Openeye Name: tert-butyl 3-(4-acetamido-5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)propanoate CAS Name: 3-(4-acetamido-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-acetamido-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoate Traditional Name: 3-(4-acetamido-5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)propionic acid tert-butyl ester Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O4S/c1-7(17)15-16-10(19)8(13-14-11(16)21)5-6-9(18)20-12(2,3)4/h5-6H2,1-4H3,(H,14,21)(H,15,17)