1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(2-pyrimidylthio)ethanone Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3OS/c1-13-11-16(14(2)21(13)15-7-4-3-5-8-15)17(22)12-23-18-19-9-6-10-20-18/h3-11H,12H2,1-2H3