(2S)-2-[(6-tert-butyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]propanoate

Systemtic Name: (2S)-2-[(6-tert-butyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]propanoate Openeye Name: (2S)-2-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]propanoate CAS Name: (2S)-2-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]propanoate IUPAC Name: (2S)-2-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(6-tert-butyl-5-keto-2H-1,2,4-triazin-3-yl)thio]propionate Formula: C10H14N3O3S- MolecularWeight: 256.30146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC(=O)C(=NN1)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NC(=O)C(=NN1)C(C)(C)C

InChI

InChI=1S/C10H15N3O3S/c1-5(8(15)16)17-9-11-7(14)6(12-13-9)10(2,3)4/h5H,1-4H3,(H,15,16)(H,11,13,14)/p-1/t5-/m0/s1