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

Systemtic Name: methyl 4-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(3,5-dioxo-2H-1,2,4-triazin-6-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3,5-diketo-2H-1,2,4-triazin-6-yl)thio]methyl]benzoic acid methyl ester Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=O)NC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=O)NC2=O

InChI

InChI=1S/C12H11N3O4S/c1-19-11(17)8-4-2-7(3-5-8)6-20-10-9(16)13-12(18)15-14-10/h2-5H,6H2,1H3,(H2,13,15,16,18)