3-(5,5-dimethylpyrrolidin-2-yl)-1-(4-methylsulfanylphenyl)-1-phenyl-propan-2-one

Systemtic Name: 3-(5,5-dimethylpyrrolidin-2-yl)-1-(4-methylsulfanylphenyl)-1-phenyl-propan-2-one Openeye Name: 3-(5,5-dimethylpyrrolidin-2-yl)-1-(4-methylsulfanylphenyl)-1-phenyl-propan-2-one CAS Name: 3-(5,5-dimethyl-2-pyrrolidinyl)-1-[4-(methylthio)phenyl]-1-phenyl-2-propanone IUPAC Name: 3-(5,5-dimethylpyrrolidin-2-yl)-1-(4-methylsulfanylphenyl)-1-phenylpropan-2-one Traditional Name: 3-(5,5-dimethylpyrrolidin-2-yl)-1-[4-(methylthio)phenyl]-1-phenyl-acetone Formula: C22H27NOS MolecularWeight: 353.52088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(N1)CC(=O)C(C2=CC=CC=C2)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1(CCC(N1)CC(=O)C(C2=CC=CC=C2)C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C22H27NOS/c1-22(2)14-13-18(23-22)15-20(24)21(16-7-5-4-6-8-16)17-9-11-19(25-3)12-10-17/h4-12,18,21,23H,13-15H2,1-3H3