2-butan-2-ylsulfanyl-1-(1-methylpyrrol-3-yl)ethanone

Systemtic Name: 2-butan-2-ylsulfanyl-1-(1-methylpyrrol-3-yl)ethanone Openeye Name: 1-(1-methylpyrrol-3-yl)-2-sec-butylsulfanyl-ethanone CAS Name: 2-(butan-2-ylthio)-1-(1-methyl-3-pyrrolyl)ethanone IUPAC Name: 2-butan-2-ylsulfanyl-1-(1-methylpyrrol-3-yl)ethanone Traditional Name: 1-(1-methylpyrrol-3-yl)-2-(sec-butylthio)ethanone Formula: C11H17NOS MolecularWeight: 211.32378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NOS/c1-4-9(2)14-8-11(13)10-5-6-12(3)7-10/h5-7,9H,4,8H2,1-3H3