1-[4-methoxy-3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]methyl]phenyl]ethanone Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C21H20N2O2S/c1-14-11-19(16-7-5-4-6-8-16)23-21(22-14)26-13-18-12-17(15(2)24)9-10-20(18)25-3/h4-12H,13H2,1-3H3