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

Systemtic Name: 3-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(5-keto-6-methyl-2H-1,2,4-triazin-3-yl)thio]methyl]benzoic acid Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NNC(=NC1=O)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H11N3O3S/c1-7-10(16)13-12(15-14-7)19-6-8-3-2-4-9(5-8)11(17)18/h2-5H,6H2,1H3,(H,17,18)(H,13,15,16)