1-(2-methylsulfanyl-5-phenyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 1-(2-methylsulfanyl-5-phenyl-1H-pyrrol-3-yl)ethanone Openeye Name: 1-(2-methylsulfanyl-5-phenyl-1H-pyrrol-3-yl)ethanone CAS Name: 1-[2-(methylthio)-5-phenyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-(2-methylsulfanyl-5-phenyl-1H-pyrrol-3-yl)ethanone Traditional Name: 1-[2-(methylthio)-5-phenyl-1H-pyrrol-3-yl]ethanone Formula: C13H13NOS MolecularWeight: 231.31342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=C1)C2=CC=CC=C2)SC

Isomeric SMILES

CC(=O)C1=C(NC(=C1)C2=CC=CC=C2)SC

InChI

InChI=1S/C13H13NOS/c1-9(15)11-8-12(14-13(11)16-2)10-6-4-3-5-7-10/h3-8,14H,1-2H3