1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-pyrimidylthio)ethanone Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C14H15N3O2S/c1-8-12(10(3)18)9(2)17-13(8)11(19)7-20-14-15-5-4-6-16-14/h4-6,17H,7H2,1-3H3