S-(4-phenylpyrimidin-2-yl) 2-phenylethanethioate

Systemtic Name: S-(4-phenylpyrimidin-2-yl) 2-phenylethanethioate Openeye Name: S-(4-phenylpyrimidin-2-yl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(4-phenyl-2-pyrimidinyl) ester IUPAC Name: S-(4-phenylpyrimidin-2-yl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(4-phenylpyrimidin-2-yl) ester Formula: C18H14N2OS MolecularWeight: 306.38156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)SC2=NC=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)SC2=NC=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H14N2OS/c21-17(13-14-7-3-1-4-8-14)22-18-19-12-11-16(20-18)15-9-5-2-6-10-15/h1-12H,13H2