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

Systemtic Name: 5-[[6-[(2-nitrophenyl)methyl]-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[6-[(2-nitrophenyl)methyl]-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-[(2-nitrophenyl)methyl]-5-oxido-1,2,4-triazin-3-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[6-[(2-nitrophenyl)methyl]-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-(2-nitrobenzyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]-2-furoate Formula: C16H10N4O6S-2 MolecularWeight: 386.3388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C(N=C(N=N2)SCC3=CC=C(O3)C(=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C(N=C(N=N2)SCC3=CC=C(O3)C(=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O6S/c21-14-11(7-9-3-1-2-4-12(9)20(24)25)18-19-16(17-14)27-8-10-5-6-13(26-10)15(22)23/h1-6H,7-8H2,(H,22,23)(H,17,19,21)/p-2