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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=NN2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=NN2

InChI

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