2-(3,6-dimethylquinolin-2-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-(3,6-dimethylquinolin-2-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(3,6-dimethyl-2-quinolyl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(3,6-dimethyl-2-quinolinyl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(3,6-dimethylquinolin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(3,6-dimethyl-2-quinolyl)thio]-1-pyrrolidino-ethanone Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)N3CCCC3)C

InChI

InChI=1S/C17H20N2OS/c1-12-5-6-15-14(9-12)10-13(2)17(18-15)21-11-16(20)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8,11H2,1-2H3