2-butan-2-ylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-butan-2-ylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-sec-butylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-(butan-2-ylthio)-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-butan-2-ylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(sec-butylthio)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C13H21NOS MolecularWeight: 239.37694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NOS/c1-6-10(3)16-8-13(15)12-7-9(2)14(5)11(12)4/h7,10H,6,8H2,1-5H3