1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(1-methyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-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(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC=CN3C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC=CN3C

InChI

InChI=1S/C20H23N3OS/c1-15-13-18(19(24)14-25-20-21-10-12-22(20)3)16(2)23(15)11-9-17-7-5-4-6-8-17/h4-8,10,12-13H,9,11,14H2,1-3H3