5-oxidanylidene-6-[(2S)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]sulfanyl-2H-1,2,4-triazin-3-olate

Systemtic Name: 5-oxidanylidene-6-[(2S)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]sulfanyl-2H-1,2,4-triazin-3-olate Openeye Name: 6-[(1S)-2-benzyloxy-1-methyl-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate CAS Name: 5-oxo-6-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]thio]-2H-1,2,4-triazin-3-olate IUPAC Name: 5-oxo-6-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]sulfanyl-2H-1,2,4-triazin-3-olate Traditional Name: 6-[[(1S)-2-benzoxy-2-keto-1-methyl-ethyl]thio]-5-keto-2H-1,2,4-triazin-3-olate Formula: C13H12N3O4S- MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)SC2=NNC(=NC2=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)SC2=NNC(=NC2=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-8(21-11-10(17)14-13(19)16-15-11)12(18)20-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,16,17,19)/p-1/t8-/m0/s1