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

Systemtic Name: 5-oxidanylidene-6-[(2S)-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]sulfanyl-2H-1,2,4-triazin-3-olate Openeye Name: 6-[(1S)-1-benzyloxycarbonylpropyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate CAS Name: 5-oxo-6-[[(2S)-1-oxo-1-phenylmethoxybutan-2-yl]thio]-2H-1,2,4-triazin-3-olate IUPAC Name: 5-oxo-6-[(2S)-1-oxo-1-phenylmethoxybutan-2-yl]sulfanyl-2H-1,2,4-triazin-3-olate Traditional Name: 6-[[(1S)-1-carbobenzoxypropyl]thio]-5-keto-2H-1,2,4-triazin-3-olate Formula: C14H14N3O4S- MolecularWeight: 320.34366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4S/c1-2-10(22-12-11(18)15-14(20)17-16-12)13(19)21-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,15,17,18,20)/p-1/t10-/m0/s1