2-(2,3-dihydro-1H-pyrrol-5-ylsulfanyl)-1-phenyl-ethanone

Systemtic Name: 2-(2,3-dihydro-1H-pyrrol-5-ylsulfanyl)-1-phenyl-ethanone Openeye Name: 2-(2,3-dihydro-1H-pyrrol-5-ylsulfanyl)-1-phenyl-ethanone CAS Name: 2-(2,3-dihydro-1H-pyrrol-5-ylthio)-1-phenylethanone IUPAC Name: 2-(2,3-dihydro-1H-pyrrol-5-ylsulfanyl)-1-phenylethanone Traditional Name: 1-phenyl-2-(2-pyrrolin-2-ylthio)ethanone Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C1)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CNC(=C1)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H13NOS/c14-11(10-5-2-1-3-6-10)9-15-12-7-4-8-13-12/h1-3,5-7,13H,4,8-9H2