5-[[6-[(2-nitrophenyl)methyl]-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[6-[(2-nitrophenyl)methyl]-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[6-[(2-nitrophenyl)methyl]-5-oxo-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[6-[(2-nitrophenyl)methyl]-5-oxo-2H-1,2,4-triazin-3-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[6-[(2-nitrophenyl)methyl]-5-oxo-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[5-keto-6-(2-nitrobenzyl)-2H-1,2,4-triazin-3-yl]thio]methyl]-2-furoic acid Formula: C16H12N4O6S MolecularWeight: 388.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=NNC(=NC2=O)SCC3=CC=C(O3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=NNC(=NC2=O)SCC3=CC=C(O3)C(=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)