1-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(1-phenylethyl)-3-pyrrolyl]-2-[(1-methyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-[(1-methylimidazol-2-yl)thio]ethanone Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)CSC3=NC=CN3C

Isomeric SMILES

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)CSC3=NC=CN3C

InChI

InChI=1S/C20H23N3OS/c1-14-12-18(19(24)13-25-20-21-10-11-22(20)4)16(3)23(14)15(2)17-8-6-5-7-9-17/h5-12,15H,13H2,1-4H3