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

Systemtic Name: 3-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(3,5-dioxo-2H-1,2,4-triazin-6-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(3,5-diketo-2H-1,2,4-triazin-6-yl)thio]methyl]benzoic acid Formula: C11H9N3O4S MolecularWeight: 279.27186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O4S/c15-8-9(13-14-11(18)12-8)19-5-6-2-1-3-7(4-6)10(16)17/h1-4H,5H2,(H,16,17)(H2,12,14,15,18)