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

Systemtic Name: 2-(phenylmethylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-benzylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-(phenylmethylthio)-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-benzylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(benzylthio)-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(N1C)C)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C16H19NOS/c1-12-9-15(13(2)17(12)3)16(18)11-19-10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3