2-butan-2-ylsulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-butan-2-ylsulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-sec-butylsulfanyl-ethanone CAS Name: 2-(butan-2-ylthio)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone IUPAC Name: 2-butan-2-ylsulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(sec-butylthio)ethanone Formula: C12H19NOS MolecularWeight: 225.35036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC(=O)C1=C(NC(=C1)C)C

Isomeric SMILES

CCC(C)SCC(=O)C1=C(NC(=C1)C)C

InChI

InChI=1S/C12H19NOS/c1-5-9(3)15-7-12(14)11-6-8(2)13-10(11)4/h6,9,13H,5,7H2,1-4H3