1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-(2-quinolinylthio)ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-quinolylthio)ethanone Formula: C20H20N2OS MolecularWeight: 336.4506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H20N2OS/c1-13-11-17(14(2)22(13)16-8-9-16)19(23)12-24-20-10-7-15-5-3-4-6-18(15)21-20/h3-7,10-11,16H,8-9,12H2,1-2H3