4,5-dimethoxy-2-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[(3-thioxo-2H-1,2,4-triazin-5-yl)amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[(3-thioxo-2H-1,2,4-triazin-5-yl)amino]benzoic acid Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC2=NC(=S)NN=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC2=NC(=S)NN=C2)OC

InChI

InChI=1S/C12H12N4O4S/c1-19-8-3-6(11(17)18)7(4-9(8)20-2)14-10-5-13-16-12(21)15-10/h3-5H,1-2H3,(H,17,18)(H2,14,15,16,21)