2-(4-methylphenyl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-(p-tolylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(4-methylphenyl)thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(4-methylphenyl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(p-tolylthio)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C16H19NOS MolecularWeight: 273.39316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)C2=C(N(C(=C2)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)C2=C(N(C(=C2)C)C)C

InChI

InChI=1S/C16H19NOS/c1-11-5-7-14(8-6-11)19-10-16(18)15-9-12(2)17(4)13(15)3/h5-9H,10H2,1-4H3