2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(3-benzyl-2-quinolyl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[3-(phenylmethyl)-2-quinolinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(3-benzylquinolin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(3-benzyl-2-quinolyl)thio]-1-pyrrolidino-ethanone Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2OS/c25-21(24-12-6-7-13-24)16-26-22-19(14-17-8-2-1-3-9-17)15-18-10-4-5-11-20(18)23-22/h1-5,8-11,15H,6-7,12-14,16H2