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

Systemtic Name: 1-[4-[3-(3-methoxy-1-prop-2-ynyl-pyrrolidin-2-yl)phenyl]sulfanylphenyl]ethanone Openeye Name: 1-[4-[3-(3-methoxy-1-prop-2-ynyl-pyrrolidin-2-yl)phenyl]sulfanylphenyl]ethanone CAS Name: 1-[4-[[3-(3-methoxy-1-prop-2-ynyl-2-pyrrolidinyl)phenyl]thio]phenyl]ethanone IUPAC Name: 1-[4-[3-(3-methoxy-1-prop-2-ynylpyrrolidin-2-yl)phenyl]sulfanylphenyl]ethanone Traditional Name: 1-[4-[[3-(3-methoxy-1-propargyl-pyrrolidin-2-yl)phenyl]thio]phenyl]ethanone Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)SC2=CC=CC(=C2)C3C(CCN3CC#C)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)SC2=CC=CC(=C2)C3C(CCN3CC#C)OC

InChI

InChI=1S/C22H23NO2S/c1-4-13-23-14-12-21(25-3)22(23)18-6-5-7-20(15-18)26-19-10-8-17(9-11-19)16(2)24/h1,5-11,15,21-22H,12-14H2,2-3H3