2-[(3-methylphenyl)methylsulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-(m-tolylmethylsulfanyl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[(3-methylphenyl)methylthio]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[(3-methylbenzyl)thio]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C19H22N2O2S MolecularWeight: 342.45518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)C2=CNC(=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)C2=CNC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C19H22N2O2S/c1-14-5-4-6-15(9-14)12-24-13-18(22)16-10-17(20-11-16)19(23)21-7-2-3-8-21/h4-6,9-11,20H,2-3,7-8,12-13H2,1H3