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

Systemtic Name: 3-[(6-tert-butyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]propanoate Openeye Name: 3-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]propanoate CAS Name: 3-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]propanoate IUPAC Name: 3-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]propanoate Traditional Name: 3-[(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)(C)C1=NNC(=NC1=O)SCCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NNC(=NC1=O)SCCC(=O)[O-]

InChI

InChI=1S/C10H15N3O3S/c1-10(2,3)7-8(16)11-9(13-12-7)17-5-4-6(14)15/h4-5H2,1-3H3,(H,14,15)(H,11,13,16)/p-1