3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]benzoate IUPAC Name: 3-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]methyl]benzoate Formula: C19H15N2O2S- MolecularWeight: 335.3996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)[O-]

InChI

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