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

Systemtic Name: 5-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(3,5-dioxo-2H-1,2,4-triazin-6-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(3,5-diketo-2H-1,2,4-triazin-6-yl)thio]methyl]-2-furoic acid Formula: C9H7N3O5S MolecularWeight: 269.23398

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)O)CSC2=NNC(=O)NC2=O

Isomeric SMILES

C1=C(OC(=C1)C(=O)O)CSC2=NNC(=O)NC2=O

InChI

InChI=1S/C9H7N3O5S/c13-6-7(11-12-9(16)10-6)18-3-4-1-2-5(17-4)8(14)15/h1-2H,3H2,(H,14,15)(H2,10,12,13,16)