1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]-3-pyrrolyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(2-pyrimidylthio)ethanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)C2=CC=CC=C2)C)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C20H21N3OS/c1-14-12-18(19(24)13-25-20-21-10-7-11-22-20)16(3)23(14)15(2)17-8-5-4-6-9-17/h4-12,15H,13H2,1-3H3/t15-/m1/s1