1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one CAS Name: 1-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-3-[(4-fluorophenyl)thio]-1-propanone IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(4-fluorophenyl)sulfanylpropan-1-one Traditional Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidino]-3-[(4-fluorophenyl)thio]propan-1-one Formula: C21H24FNO3S MolecularWeight: 389.483563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)CCSC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)CCSC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H24FNO3S/c1-25-19-10-5-15(14-20(19)26-2)18-4-3-12-23(18)21(24)11-13-27-17-8-6-16(22)7-9-17/h5-10,14,18H,3-4,11-13H2,1-2H3