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1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one

Systemtic Name:1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one
Openeye Name:1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one
CAS Name:1-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-[4-mercapto-3-(trifluoromethyl)phenyl]-2-propen-1-one
IUPAC Name:1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one
Traditional Name:2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-(2-methylolpyrrolidino)prop-2-en-1-one
Formula: C15H16F3NO2S
MolecularWeight: 331.35325
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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)C(F)(F)F)C(=O)N2CCCC2CO


Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)C(F)(F)F)C(=O)N2CCCC2CO


InChI

InChI=1S/C15H16F3NO2S/c1-9(14(21)19-6-2-3-11(19)8-20)10-4-5-13(22)12(7-10)15(16,17)18/h4-5,7,11,20,22H,1-3,6,8H2


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