S-(4,6-dimethylpyrimidin-2-yl) 2-phenylethanethioate

Systemtic Name: S-(4,6-dimethylpyrimidin-2-yl) 2-phenylethanethioate Openeye Name: S-(4,6-dimethylpyrimidin-2-yl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(4,6-dimethyl-2-pyrimidinyl) ester IUPAC Name: S-(4,6-dimethylpyrimidin-2-yl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(4,6-dimethylpyrimidin-2-yl) ester Formula: C14H14N2OS MolecularWeight: 258.33876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C14H14N2OS/c1-10-8-11(2)16-14(15-10)18-13(17)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3