1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(phenylmethylsulfanyl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-benzylsulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(phenylmethylthio)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-benzylsulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(benzylthio)ethanone Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO2S/c1-11-16(13(3)19)12(2)18-17(11)15(20)10-21-9-14-7-5-4-6-8-14/h4-8,18H,9-10H2,1-3H3