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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methoxyphenyl)sulfanyl-propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methoxyphenyl)sulfanyl-propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methoxyphenyl)thio]-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methoxyphenyl)sulfanylpropan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methoxyphenyl)thio]propan-1-one Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S/c1-10-16(12(3)20)11(2)19-17(10)18(21)13(4)23-15-8-6-14(22-5)7-9-15/h6-9,13,19H,1-5H3