2-(phenylmethylsulfanyl)-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-(phenylmethylsulfanyl)-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-benzylsulfanyl-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-(phenylmethylthio)-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-benzylsulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-(benzylthio)-1-(1H-pyrrol-2-yl)ethanone Formula: C13H13NOS MolecularWeight: 231.31342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)C2=CC=CN2

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)C2=CC=CN2

InChI

InChI=1S/C13H13NOS/c15-13(12-7-4-8-14-12)10-16-9-11-5-2-1-3-6-11/h1-8,14H,9-10H2