5-[[5-oxidanidyl-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[5-oxidanidyl-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[6-(3-isopropoxy-3-oxo-propyl)-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-oxido-6-(3-oxo-3-propan-2-yloxypropyl)-1,2,4-triazin-3-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[5-oxido-6-(3-oxo-3-propan-2-yloxypropyl)-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-(3-isopropoxy-3-keto-propyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]-2-furoate Formula: C15H15N3O6S-2 MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=C(N=C(N=N1)SCC2=CC=C(O2)C(=O)[O-])[O-]

Isomeric SMILES

CC(C)OC(=O)CCC1=C(N=C(N=N1)SCC2=CC=C(O2)C(=O)[O-])[O-]

InChI

InChI=1S/C15H17N3O6S/c1-8(2)23-12(19)6-4-10-13(20)16-15(18-17-10)25-7-9-3-5-11(24-9)14(21)22/h3,5,8H,4,6-7H2,1-2H3,(H,21,22)(H,16,18,20)/p-2