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

Systemtic Name: 2-butan-2-ylsulfanyl-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-sec-butylsulfanyl-ethanone CAS Name: 2-(butan-2-ylthio)-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-butan-2-ylsulfanyl-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-(sec-butylthio)ethanone Formula: C14H23NOS MolecularWeight: 253.40352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NOS/c1-6-11(4)17-9-14(16)13-8-10(3)15(7-2)12(13)5/h8,11H,6-7,9H2,1-5H3