methyl 3-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(6-phenyl-4-pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-phenylpyrimidin-4-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(6-phenylpyrimidin-4-yl)thio]methyl]benzoic acid methyl ester Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O2S/c1-23-19(22)16-9-5-6-14(10-16)12-24-18-11-17(20-13-21-18)15-7-3-2-4-8-15/h2-11,13H,12H2,1H3