1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(phenylthio)ethanone IUPAC Name: 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-phenylsulfanylethanone Traditional Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(phenylthio)ethanone Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H21NO2S/c1-15-13-20(21(23)14-25-19-7-5-4-6-8-19)16(2)22(15)17-9-11-18(24-3)12-10-17/h4-13H,14H2,1-3H3