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

Systemtic Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-(2-pyridylthio)ethanone Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=CC=CC=N3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=CC=CC=N3)C

InChI

InChI=1S/C21H22N2O2S/c1-4-25-18-10-8-17(9-11-18)23-15(2)13-19(16(23)3)20(24)14-26-21-7-5-6-12-22-21/h5-13H,4,14H2,1-3H3