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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N=C1SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NNC(=O)N=C1SCC2=CC=C(C=C2)C(=O)O

InChI

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