2-(4-methylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-(p-tolylsulfanyl)-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(4-methylphenyl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-(4-methylphenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-(p-tolylthio)-1-(1H-pyrrol-2-yl)ethanone Formula: C13H13NOS MolecularWeight: 231.31342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)C2=CC=CN2

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)C2=CC=CN2

InChI

InChI=1S/C13H13NOS/c1-10-4-6-11(7-5-10)16-9-13(15)12-3-2-8-14-12/h2-8,14H,9H2,1H3