1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-pyridylthio)ethanone Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)Cl)C)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)Cl)C)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C21H21ClN2OS/c1-15-13-19(20(25)14-26-21-5-3-4-11-23-21)16(2)24(15)12-10-17-6-8-18(22)9-7-17/h3-9,11,13H,10,12,14H2,1-2H3