1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[(1-methyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1-methylimidazol-2-yl)sulfanylethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-methylimidazol-2-yl)thio]ethanone Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NC=CN3C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NC=CN3C

InChI

InChI=1S/C19H21N3OS/c1-14-11-17(18(23)13-24-19-20-9-10-21(19)3)15(2)22(14)12-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3