1-[4-[3-fluoranyl-5-(3-methoxy-1-prop-2-ynyl-pyrrolidin-3-yl)phenyl]sulfanylphenyl]ethanone

Systemtic Name: 1-[4-[3-fluoranyl-5-(3-methoxy-1-prop-2-ynyl-pyrrolidin-3-yl)phenyl]sulfanylphenyl]ethanone Openeye Name: 1-[4-[3-fluoro-5-(3-methoxy-1-prop-2-ynyl-pyrrolidin-3-yl)phenyl]sulfanylphenyl]ethanone CAS Name: 1-[4-[[3-fluoro-5-(3-methoxy-1-prop-2-ynyl-3-pyrrolidinyl)phenyl]thio]phenyl]ethanone IUPAC Name: 1-[4-[3-fluoro-5-(3-methoxy-1-prop-2-ynylpyrrolidin-3-yl)phenyl]sulfanylphenyl]ethanone Traditional Name: 1-[4-[[3-fluoro-5-(3-methoxy-1-propargyl-pyrrolidin-3-yl)phenyl]thio]phenyl]ethanone Formula: C22H22FNO2S MolecularWeight: 383.478983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)SC2=CC(=CC(=C2)F)C3(CCN(C3)CC#C)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)SC2=CC(=CC(=C2)F)C3(CCN(C3)CC#C)OC

InChI

InChI=1S/C22H22FNO2S/c1-4-10-24-11-9-22(15-24,26-3)18-12-19(23)14-21(13-18)27-20-7-5-17(6-8-20)16(2)25/h1,5-8,12-14H,9-11,15H2,2-3H3