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

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-methylpropylsulfanyl)ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-isobutylsulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-methylpropylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-methylpropylsulfanyl)ethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(isobutylthio)ethanone Formula: C12H19NOS MolecularWeight: 225.35036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSCC(C)C

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSCC(C)C

InChI

InChI=1S/C12H19NOS/c1-8(2)6-15-7-12(14)11-5-9(3)13-10(11)4/h5,8,13H,6-7H2,1-4H3