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

Systemtic Name: 1-[4-[2-(3-fluorophenyl)-3-methoxy-1-prop-2-ynyl-pyrrolidin-3-yl]sulfanylphenyl]ethanone Openeye Name: 1-[4-[2-(3-fluorophenyl)-3-methoxy-1-prop-2-ynyl-pyrrolidin-3-yl]sulfanylphenyl]ethanone CAS Name: 1-[4-[[2-(3-fluorophenyl)-3-methoxy-1-prop-2-ynyl-3-pyrrolidinyl]thio]phenyl]ethanone IUPAC Name: 1-[4-[2-(3-fluorophenyl)-3-methoxy-1-prop-2-ynylpyrrolidin-3-yl]sulfanylphenyl]ethanone Traditional Name: 1-[4-[[2-(3-fluorophenyl)-3-methoxy-1-propargyl-pyrrolidin-3-yl]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(CCN(C2C3=CC(=CC=C3)F)CC#C)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)SC2(CCN(C2C3=CC(=CC=C3)F)CC#C)OC

InChI

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