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

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-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(N1CC2=CC=CC=C2)C)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H19N3OS/c1-14-11-17(18(23)13-24-19-20-9-6-10-21-19)15(2)22(14)12-16-7-4-3-5-8-16/h3-11H,12-13H2,1-2H3