5-[[6-(4-methoxyphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[6-(4-methoxyphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[6-(4-methoxyphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-(4-methoxyphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[6-(4-methoxyphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-(4-methoxyphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]-2-furoate Formula: C16H11N3O5S-2 MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=C(O3)C(=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=C(O3)C(=O)[O-])[O-]

InChI

InChI=1S/C16H13N3O5S/c1-23-10-4-2-9(3-5-10)13-14(20)17-16(19-18-13)25-8-11-6-7-12(24-11)15(21)22/h2-7H,8H2,1H3,(H,21,22)(H,17,19,20)/p-2