2-(2-methylpropylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-(2-methylpropylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-isobutylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-(2-methylpropylthio)-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(2-methylpropylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(isobutylthio)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C13H21NOS MolecularWeight: 239.37694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSCC(C)C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSCC(C)C

InChI

InChI=1S/C13H21NOS/c1-9(2)7-16-8-13(15)12-6-10(3)14(5)11(12)4/h6,9H,7-8H2,1-5H3