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

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-(benzylthio)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C17H21NOS MolecularWeight: 287.41974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSCC2=CC=CC=C2)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSCC2=CC=CC=C2)C

InChI

InChI=1S/C17H21NOS/c1-4-18-13(2)10-16(14(18)3)17(19)12-20-11-15-8-6-5-7-9-15/h5-10H,4,11-12H2,1-3H3