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

Systemtic Name: methyl 4-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-keto-6-methyl-2H-1,2,4-triazin-3-yl)thio]methyl]benzoic acid methyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3S/c1-8-11(17)14-13(16-15-8)20-7-9-3-5-10(6-4-9)12(18)19-2/h3-6H,7H2,1-2H3,(H,14,16,17)