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

Systemtic Name: 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)thio]methyl]benzoate IUPAC Name: 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)thio]methyl]benzoate Formula: C13H12N3O2S- MolecularWeight: 274.31828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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