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

Systemtic Name: 1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-p-cumenyl-pyrrol-3-yl)-2-(2-pyrimidylthio)ethanone Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C21H23N3OS/c1-14(2)17-6-8-18(9-7-17)24-15(3)12-19(16(24)4)20(25)13-26-21-22-10-5-11-23-21/h5-12,14H,13H2,1-4H3