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

Systemtic Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-(2-pyrimidylthio)ethanone Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-4-25-17-8-6-16(7-9-17)23-14(2)12-18(15(23)3)19(24)13-26-20-21-10-5-11-22-20/h5-12H,4,13H2,1-3H3