1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]ethanone Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC(=C(C(=N2)C)C)C

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC(=C(C(=N2)C)C)C

InChI

InChI=1S/C18H25N3OS/c1-10(2)21-11(3)8-16(15(21)7)17(22)9-23-18-19-13(5)12(4)14(6)20-18/h8,10H,9H2,1-7H3