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

Systemtic Name: 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)thio]methyl]benzoic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=C(N=NC(=N1)SCC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C13H13N3O2S/c1-8-9(2)15-16-13(14-8)19-7-10-3-5-11(6-4-10)12(17)18/h3-6H,7H2,1-2H3,(H,17,18)