4-[2-[(5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[(5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(5-oxo-2H-1,2,4-triazin-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(5-keto-2H-1,2,4-triazin-3-yl)thio]ethoxy]benzoic acid Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCSC2=NC(=O)C=NN2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCSC2=NC(=O)C=NN2

InChI

InChI=1S/C12H11N3O4S/c16-10-7-13-15-12(14-10)20-6-5-19-9-3-1-8(2-4-9)11(17)18/h1-4,7H,5-6H2,(H,17,18)(H,14,15,16)