1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-pyrimidylthio)ethanone Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)Cl)C)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)Cl)C)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C20H20ClN3OS/c1-14-12-18(19(25)13-26-20-22-9-3-10-23-20)15(2)24(14)11-8-16-4-6-17(21)7-5-16/h3-7,9-10,12H,8,11,13H2,1-2H3