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

Systemtic Name: methyl 4-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]methyl]benzoic acid methyl ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3S/c1-24-17(23)14-9-7-12(8-10-14)11-25-18-19-16(22)15(20-21-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21,22)