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

Systemtic Name: 4-[(3-oxidanylidene-2H-1,2,4-triazin-5-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(3-oxo-2H-1,2,4-triazin-5-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(3-keto-2H-1,2,4-triazin-5-yl)thio]methyl]benzoic acid Formula: C11H9N3O3S MolecularWeight: 263.27246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)NN=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)NN=C2)C(=O)O

InChI

InChI=1S/C11H9N3O3S/c15-10(16)8-3-1-7(2-4-8)6-18-9-5-12-14-11(17)13-9/h1-5H,6H2,(H,15,16)(H,13,14,17)