methyl 4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O3S/c1-24-18(23)15-9-7-13(8-10-15)12-25-19-20-16(11-17(22)21-19)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21,22)