5-oxidanylidene-6-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-2H-1,2,4-triazin-3-olate

Systemtic Name: 5-oxidanylidene-6-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-2H-1,2,4-triazin-3-olate Openeye Name: 6-(2-benzyloxy-2-oxo-ethyl)sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate CAS Name: 5-oxo-6-[(2-oxo-2-phenylmethoxyethyl)thio]-2H-1,2,4-triazin-3-olate IUPAC Name: 5-oxo-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-2H-1,2,4-triazin-3-olate Traditional Name: 6-[(2-benzoxy-2-keto-ethyl)thio]-5-keto-2H-1,2,4-triazin-3-olate Formula: C12H10N3O4S- MolecularWeight: 292.2905

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NNC(=NC2=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NNC(=NC2=O)[O-]

InChI

InChI=1S/C12H11N3O4S/c16-9(19-6-8-4-2-1-3-5-8)7-20-11-10(17)13-12(18)15-14-11/h1-5H,6-7H2,(H2,13,15,17,18)/p-1