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

Systemtic Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-(2-pyrimidylthio)ethanone Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC=CC=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC=CC=N3)C

InChI

InChI=1S/C19H19N3OS/c1-13-5-7-16(8-6-13)22-14(2)11-17(15(22)3)18(23)12-24-19-20-9-4-10-21-19/h4-11H,12H2,1-3H3