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

Systemtic Name: 5-[(5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[(5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(5-keto-2H-1,2,4-triazin-3-yl)thio]methyl]-2-thenoic acid Formula: C9H7N3O3S2 MolecularWeight: 269.30018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)O)CSC2=NC(=O)C=NN2

Isomeric SMILES

C1=C(SC(=C1)C(=O)O)CSC2=NC(=O)C=NN2

InChI

InChI=1S/C9H7N3O3S2/c13-7-3-10-12-9(11-7)16-4-5-1-2-6(17-5)8(14)15/h1-3H,4H2,(H,14,15)(H,11,12,13)