1-(4-methylphenyl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(4-methylphenyl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(p-tolyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]propan-1-one CAS Name: 1-(4-methylphenyl)-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(4-methylphenyl)-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(p-tolyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]propan-1-one Formula: C20H22N2O2S MolecularWeight: 354.46588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O2S/c1-14-5-7-16(8-6-14)19(23)15(2)25-18-10-9-17(13-21-18)20(24)22-11-3-4-12-22/h5-10,13,15H,3-4,11-12H2,1-2H3