1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-phenylsulfanyl-propan-1-one

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-phenylsulfanyl-propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-phenylsulfanyl-propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(phenylthio)-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-phenylsulfanylpropan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(phenylthio)propan-1-one Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=CC=CC=C2

InChI

InChI=1S/C17H19NO2S/c1-10-15(12(3)19)11(2)18-16(10)17(20)13(4)21-14-8-6-5-7-9-14/h5-9,13,18H,1-4H3